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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:53 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155591
Frequency0.5
Structure
Chemical FormulaC14H22N2O2S
Molecular Mass282.1402
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1
InChI KeyPQSPRJCWUCYYOV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent p-toluenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • trialkylamines
    • Substituents
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • benzenesulfonyl group
  • benzenesulfonamide
  • azacycle
  • aminosulfonyl compound
  • p-toluenesulfonamide
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine