| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:59 UTC |
|---|
| Update Date | 2025-03-21 17:58:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00013139 |
|---|
| Frequency | 342.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H20N2O2S |
|---|
| Molecular Mass | 256.1245 |
|---|
| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(N)cc1 |
|---|
| InChI Key | XMGJIKAEBFXGKK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aminosulfonyl compoundsbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary amines |
|---|
| Substituents | organosulfonic acid or derivativesbenzenesulfonamideaminosulfonyl compoundorganosulfur compoundorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminebenzenesulfonyl group |
|---|
