HuagongsheHuagongshe Chemistry Print Report · For research reference only
(Piperidin-4-yl)methyl 4-methylbenzene-1-sulfonate
Identifiers & Physical Properties
| Molecular formula | C13H19NO3S |
|---|---|
| Average molar mass | 269.36 g/mol |
| Monoisotopic mass | 269.10856464 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)OCC2CCNCC2)cc1 |
| InChIKey | XJNLKUXJRBIBOK-UHFFFAOYSA-N |
| PubChem CID | 19081872 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 63.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 336 |