Basic information
- Standard SMILES
CCCN(c1cc(CO)cc(C(=O)OC)c1)S(C)(=O)=O- InChIKey
ASGLWBOKKDMNRI-UHFFFAOYSA-N- Molecular formula
- C13H19NO5S
- Average molar mass
- 301.36 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(hydroxymethyl)-5-[(methylsulfonyl)(propyl)amino]benzoate
- IUPAC
- methyl 3-(hydroxymethyl)-5-[methylsulfonyl(propyl)amino]benzoate
Names & synonyms
SCHEMBL2214134ASGLWBOKKDMNRI-UHFFFAOYSA-Nmethyl 3-(hydroxymethyl)-5-[(methylsulfonyl)(propyl) amino]benzoatemethyl 3-(hydroxymethyl)-5-[(methylsulfonyl)(propyl)amino]benzoate
Database identifiers
- PubChem CID
- 57775670
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
4 records
Compound notes
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