A1BFZ
Summary
| Name: | N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide |
| Formula: | C8 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 217.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(1~{R})-1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1ncc(C(C)NS(C)(=O)=O)c1C |
| InChI | InChI | 1.06 | InChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3 |
| InChIKey | InChI | 1.06 | DPWJNSPPALAEBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N[S](C)(=O)=O)c1cnn(C)c1C |
| SMILES | CACTVS | 3.385 | C[CH](N[S](C)(=O)=O)c1cnn(C)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cnn1C)[C@@H](C)NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cnn1C)C(C)NS(=O)(=O)C |
