Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:33 UTC
Update Date2025-03-21 18:35:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104354
Frequency26.0
Structure
Chemical FormulaC12H21N3O2S
Molecular Mass271.1354
SMILESCNC(=O)NCCSCc1ccc(CN(C)C)o1
InChI KeyNRBJTCXMARKNCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent aralkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dialkylthioethers
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • sulfenyl compounds
  • trialkylamines
  • Substituents
  • furan
  • carbonyl group
  • carbonic acid derivative
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • dialkylthioether
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organosulfur compound
  • aralkylamine
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • thioether
  • organopnictogen compound
  • hydrocarbon derivative
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound