8DH
Summary
| Name: | N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide |
| Formula: | C8 H17 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 235.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-3-oxidanylidene-~{N}-propan-2-yl-piperazine-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1CN(CCN1)S(=O)(=O)N(C)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H17N3O3S/c1-7(2)10(3)15(13,14)11-5-4-9-8(12)6-11/h7H,4-6H2,1-3H3,(H,9,12) |
| InChIKey | InChI | 1.03 | VTMVBMKVPGBHRQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N(C)[S](=O)(=O)N1CCNC(=O)C1 |
| SMILES | CACTVS | 3.385 | CC(C)N(C)[S](=O)(=O)N1CCNC(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1 |
