279429 <common-name>2-amino-1-(4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-one</common-name> <description>2-amino-1-(4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-one belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid derivative has the chemical formula C10H21N3OS and an average molecular weight of 231.36 g/mol.</description> <cas>1279201-35-2</cas> <pubchem-id>18730590</pubchem-id> <chemical-formula>C10H21N3OS</chemical-formula> <weight>231.36</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-26T19:21:26Z</created-at> <updated-at type="dateTime">2026-08-26T19:21:26Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CN1CCN(CC1)C(=O)C(CCSC)N</moldb-smiles> <moldb-formula>C10H21N3OS</moldb-formula> <moldb-inchi>InChI=1S/C10H21N3OS/c1-12-4-6-13(7-5-12)10(14)9(11)3-8-15-2/h9H,3-8,11H2,1-2H3</moldb-inchi> <moldb-inchikey>YRWRWSRUJFGGSS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">231.1405335</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM275322</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-amino-1-(4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0231486</sync-id> <structure-inchikey>YRWRWSRUJFGGSS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40120000000000000000800000080800000000000000010008010000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000020000000000000000000001000000000002000010000000000000000000000000000020100000000000000000000040000000040000000000000000000004000001002000000000000080000000000000000000000000000000000000000000000000000000000008000000000000000000200000004000000000000000000400000000000000000000000000000000000000000000040000000000000000400000200000000000000004000000000</structure-fingerprint> <structure-pattern-fingerprint>8102040000000000010820000000040000052000002000400200000c4002005000800000000001000080000004200021808c30010200443000a0000084110400020000004090100000620000000001804000003240400420000008000c200004004002000000000054100000200080100101c0043198020000110002004000180c4002080c00020008080008111c0012444014020000080000004000484300000000400000000940052c211042c0020088410840100002000040021000100004240000220180020400410280000000000200480000000000080000000000080010000000004000004000200000100010004000220000008050000006</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������(�������`�������`�������(�������(�������`�������`�������`������� ������`�������`�������������������������� ��(�� � � ������ � �����B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:54:45Z</structure-indexed-at> </compound>