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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:48 UTC
Update Date2025-03-25 00:46:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155388
Frequency0.5
Structure
Chemical FormulaC12H18N2O2S
Molecular Mass254.1089
SMILESCc1ccccc1N1CCN(S(C)(=O)=O)CC1
InChI KeyPXNZRLHRRHMURW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminotoluenes
  • aniline and substituted anilines
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-arylpiperazines
  • organic oxides
  • organic sulfonamides
  • organopnictogen compounds
  • organosulfonamides
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • aminotoluene
  • azacycle
  • aniline or substituted anilines
  • phenylpiperazine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic sulfonic acid amide
  • toluene
  • amine
  • n-arylpiperazine