| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:10 UTC |
|---|
| Update Date | 2025-03-25 00:51:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02190279 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N4O3S |
|---|
| Molecular Mass | 298.11 |
|---|
| SMILES | CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2N)CC1 |
|---|
| InChI Key | TVTCXQHYGRNOJW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazinanes |
|---|
| Subclass | piperazines |
|---|
| Direct Parent | phenylpiperazines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesamino acids and derivativesaminobenzenesulfonamidesaminosulfonyl compoundsaniline and substituted anilinesazacyclic compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesn-arylpiperazinesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminestertiary carboxylic acid amides |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupaminobenzenesulfonamidearomatic heteromonocyclic compoundamino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineacetamidebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundaniline or substituted anilinescarboxamide groupphenylpiperazinesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
|---|
