Basic information
- Standard SMILES
Cc1ccc([C@@H](C)NCCCS(=O)(=O)O)cc1- InChIKey
JAPOOFPXZLCVGS-LLVKDONJSA-N- Molecular formula
- C12H19NO3S
- Average molar mass
- 257.35 g/mol
Names & identifiers
- Preferred name
- 3-[(1r)-1-(4-Methylphenyl)ethyl]amino-1-propanesulfonic acid
- IUPAC
- 3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propane-1-sulfonic acid
Names & synonyms
SCHEMBL355211JAPOOFPXZLCVGS-LLVKDONJSA-N3-[(1r)-1-(4-methylphenyl)ethyl]amino-1-propanesulfonic acid
Database identifiers
- PubChem CID
- 11976641
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
2 records
Compound notes
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