Basic information
- Standard SMILES
CCCC(O)CNCc1ccc(S(C)(=O)=O)cc1- InChIKey
GTKSASGXWFWXAL-UHFFFAOYSA-N- Molecular formula
- C13H21NO3S
- Average molar mass
- 271.38 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methanesulfonylbenzylamino)pentan-2-ol
- IUPAC
- 1-[(4-methylsulfonylphenyl)methylamino]pentan-2-ol
Names & synonyms
SCHEMBL4711105GTKSASGXWFWXAL-UHFFFAOYSA-N1-(4-methanesulfonylbenzylamino)pentan-2-ol
Database identifiers
- PubChem CID
- 23060752
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
4 records
Compound notes
Loading…