N-methyl-N-(3-methylbutyl)-1-(3-nitrobenzene-1-sulfonyl)piperidin-4-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-methyl-N-(3-methylbutyl)-1-(3-nitrobenzene-1-sulfonyl)piperidin-4-amine--hydrogen chloride (1/1)
N-methyl-N-(3-methylbutyl)-1-(3-nitrobenzene-1-sulfonyl)piperidin-4-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K786-3545 |
| Compound Name: | N-methyl-N-(3-methylbutyl)-1-(3-nitrobenzene-1-sulfonyl)piperidin-4-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 405.94 |
| Molecular Formula: | C17 H27 N3 O4 S |
| Salt: | HCl |
| Smiles: | CC(C)CCN(C)C1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4204 |
| logD: | 1.265 |
| logSw: | -3.823 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.176 |
| InChI Key: | RCMPQESFZJDRAE-UHFFFAOYSA-N |