A1A3S
Summary
| Name: | N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide |
| Formula: | C9 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 234.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-methyl-~{N}-(2-oxidanylidene-2-piperidin-1-yl-ethyl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CN(C)S(C)(=O)=O)N1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H18N2O3S/c1-10(15(2,13)14)8-9(12)11-6-4-3-5-7-11/h3-8H2,1-2H3 |
| InChIKey | InChI | 1.06 | CPSZUJVUZDHXHY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC(=O)N1CCCCC1)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CN(CC(=O)N1CCCCC1)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(CC(=O)N1CCCCC1)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(CC(=O)N1CCCCC1)S(=O)(=O)C |
