Q45
Summary
| Name: | 2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide |
| Formula: | C15 H24 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 340.441 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[(2~{S})-2-[2-(methylsulfonylamino)ethyl]piperidin-1-yl]-~{N}-pyridin-3-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CN1CCCCC1CCNS(C)(=O)=O)Nc1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H24N4O3S/c1-23(21,22)17-9-7-14-6-2-3-10-19(14)12-15(20)18-13-5-4-8-16-11-13/h4-5,8,11,14,17H,2-3,6-7,9-10,12H2,1H3,(H,18,20)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | PYUPQBFSNMZSNT-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCC[C@@H]1CCCCN1CC(=O)Nc2cccnc2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCC[CH]1CCCCN1CC(=O)Nc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NCC[C@@H]1CCCCN1CC(=O)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NCCC1CCCCN1CC(=O)Nc2cccnc2 |
