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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:04 UTC
Update Date2025-03-25 00:48:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169462
Frequency0.5
Structure
Chemical FormulaC10H21NO2S
Molecular Mass219.1293
SMILESCCCN(CCC)C1CCS(=O)(=O)C1
InChI KeyXQMXCWGLDUAWRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfones
  • trialkylamines
    • Substituents
  • thiolane
  • tertiary aliphatic amine
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • sulfone