Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1- InChIKey
KAEZHCYNXFSDDH-UHFFFAOYSA-N- Molecular formula
- C16H24N2O4S
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14567842
Names & identifiers
- Preferred name
- 4-(4-Methanesulfonyl-phenyl)piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(4-methylsulfonylphenyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL3923864KAEZHCYNXFSDDH-UHFFFAOYSA-N4-(4-Methanesulfonyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester4-(4-Methanesulfonyl-phenyl)piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59793501
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Related reactions
3 records
Compound notes
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