N-{[rel-(3R,4S)-3-(dimethylamino)-1-(thian-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
Chemical Structure Depiction of
N-{[rel-(3R,4S)-3-(dimethylamino)-1-(thian-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
N-{[rel-(3R,4S)-3-(dimethylamino)-1-(thian-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S618-1196 |
| Compound Name: | N-{[rel-(3R,4S)-3-(dimethylamino)-1-(thian-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide |
| Molecular Weight: | 325.52 |
| Molecular Formula: | C17 H31 N3 O S |
| Smiles: | CN(C)[C@@H]1CN(CC[C@@H]1CNC(C1CC1)=O)C1CCSCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2784 |
| logD: | -1.3355 |
| logSw: | -1.926 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3049 |
| InChI Key: | ZXUNGSGHJOEQHB-ZBFHGGJFSA-N |