Basic information
- Standard SMILES
O=C(O)[C@H](Cc1ccccc1)CS(=O)(=O)CC1CC1- InChIKey
ONYBKAMXRSLEOT-CYBMUJFWSA-N- Molecular formula
- C14H18O4S
- Average molar mass
- 282.36 g/mol
Names & identifiers
- Preferred name
- (S)-alpha-[[(Cyclopropylmethyl)sulphonyl]methyl]hydrocinnamic acid
- IUPAC
- (2S)-2-benzyl-3-(cyclopropylmethylsulfonyl)propanoic acid
Names & synonyms
ONYBKAMXRSLEOT-CYBMUJFWSA-N(S)-alpha-[[(Cyclopropylmethyl)sulphonyl]methyl]hydrocinnamic acid
Database identifiers
- PubChem CID
- 86751663
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
Related reactions
1 records
Compound notes
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