2-(2,5-dimethylbenzene-1-sulfonyl)-3-(methylsulfanyl)-3-(piperidin-1-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(2,5-dimethylbenzene-1-sulfonyl)-3-(methylsulfanyl)-3-(piperidin-1-yl)prop-2-enenitrile
2-(2,5-dimethylbenzene-1-sulfonyl)-3-(methylsulfanyl)-3-(piperidin-1-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | C201-1975 |
| Compound Name: | 2-(2,5-dimethylbenzene-1-sulfonyl)-3-(methylsulfanyl)-3-(piperidin-1-yl)prop-2-enenitrile |
| Molecular Weight: | 350.5 |
| Molecular Formula: | C17 H22 N2 O2 S2 |
| Smiles: | Cc1ccc(C)c(c1)S(C(/C#N)=C(/N1CCCCC1)SC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9705 |
| logD: | 3.9705 |
| logSw: | -3.9203 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.569 |
| InChI Key: | HWRINOBYZHPHDC-UHFFFAOYSA-N |