VFG
Summary
| Name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
| Formula: | C5 H8 N4 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 236.272 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)Nc1nnc(S(N)(=O)=O)s1 |
| InChI | InChI | 1.03 | InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10) |
| InChIKey | InChI | 1.03 | PCBBBQKRWNGNDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1sc(nn1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1sc(nn1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1nnc(s1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1nnc(s1)S(=O)(=O)N |
