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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:17 UTC
Update Date2025-03-25 00:49:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172243
Frequency0.5
Structure
Chemical FormulaC11H16N2O2S
Molecular Mass240.0932
SMILESCN1CCN(S(=O)(=O)c2ccccc2)CC1
InChI KeyNCKYKYNYJREWCI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenesulfonyl compounds
  • hydrocarbon derivatives
  • n-methylpiperazines
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • sulfonyls
  • trialkylamines
    • Substituents
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • piperazine
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • organoheterocyclic compound
  • benzenesulfonyl group
  • benzenesulfonamide
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • 1,4-diazinane
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine