Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)O)cc1- InChIKey
QGJCJEKHAGSQGA-LLVKDONJSA-N- Molecular formula
- C13H16N2O5S
- Average molar mass
- 312.34 g/mol
Names & identifiers
- Preferred name
- (R)-2-(3-oxo-1-tosylpiperazin-2-yl)acetic acid
- IUPAC
- 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
Names & synonyms
SCHEMBL3534966QGJCJEKHAGSQGA-LLVKDONJSA-N(R)-2-(3-oxo-1-tosylpiperazin-2-yl)acetic acid
Database identifiers
- PubChem CID
- 33736624
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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