| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:54 UTC |
|---|
| Update Date | 2025-03-25 00:59:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239883 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17NO3S |
|---|
| Molecular Mass | 267.0929 |
|---|
| SMILES | O=C1CCCN1CCCS(=O)(=O)c1ccccc1 |
|---|
| InChI Key | GVFJXDQAMSUYRH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonyl compounds |
|---|
| Direct Parent | benzenesulfonyl compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessulfonestertiary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundbenzenesulfonyl groupazacyclen-alkylpyrrolidinecarboxamide groupsulfonylorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
|---|
