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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:20 UTC
Update Date2025-03-25 00:52:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195100
Frequency0.5
Structure
Chemical FormulaC18H31N3O3S
Molecular Mass369.2086
SMILESCCCN(CCC)S(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1
InChI KeyODQDEEZKHRKBQZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • alcohols and polyols
  • aminobenzenesulfonamides
  • aminosulfonyl compounds
  • aniline and substituted anilines
  • azacyclic compounds
  • benzenesulfonyl compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-alkylpiperazines
  • n-arylpiperazines
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • trialkylamines
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • aminobenzenesulfonamide
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • alkanolamine
  • benzenesulfonyl group
  • alcohol
  • benzenesulfonamide
  • azacycle
  • aminosulfonyl compound
  • 1,2-aminoalcohol
  • aniline or substituted anilines
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • phenylpiperazine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound