rel-(3R,4S)-3-(pentylamino)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(pentylamino)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(pentylamino)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1710 |
| Compound Name: | rel-(3R,4S)-3-(pentylamino)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 351.5 |
| Molecular Formula: | C13 H21 N O4 S3 |
| Smiles: | CCCCCN[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1329 |
| logD: | 1.1327 |
| logSw: | -2.074 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.98 |
| InChI Key: | ZKBGNSOCSWXNNF-VXGBXAGGSA-N |