N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S639-3326 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-5-methylthiophene-2-carboxamide |
| Molecular Weight: | 345.48 |
| Molecular Formula: | C14 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(C(N[C@@H]2CN(C[C@H]2CN(C)C)S(C)(=O)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9978 |
| logD: | -0.9269 |
| logSw: | -2.2738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.188 |
| InChI Key: | TYTBAZFIBZGJFV-VXGBXAGGSA-N |