N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}ethanesulfonamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}ethanesulfonamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}ethanesulfonamide
Compound characteristics
| Compound ID: | S639-0494 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}ethanesulfonamide |
| Molecular Weight: | 325.47 |
| Molecular Formula: | C16 H27 N3 O2 S |
| Smiles: | CCS(N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2044 |
| logD: | -0.5167 |
| logSw: | -2.2468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.885 |
| InChI Key: | DNQIQVRCHVBFDD-HOTGVXAUSA-N |