3,3-bis[(2-methylpropyl)sulfanyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Chemical Structure Depiction of
3,3-bis[(2-methylpropyl)sulfanyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
3,3-bis[(2-methylpropyl)sulfanyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | K291-0237 |
| Compound Name: | 3,3-bis[(2-methylpropyl)sulfanyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile |
| Molecular Weight: | 326.52 |
| Molecular Formula: | C16 H26 N2 O S2 |
| Smiles: | CC(C)CSC(=C(C#N)C(N1CCCC1)=O)SCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.5061 |
| logD: | 4.5061 |
| logSw: | -4.0767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.581 |
| InChI Key: | SPZBXPUMWYOABP-UHFFFAOYSA-N |