Basic information
- Standard SMILES
CN1CCN(C2CCC(OS(C)(=O)=O)CC2)CC1=O- InChIKey
ODHXWVQVZILUJT-UHFFFAOYSA-N- Molecular formula
- C12H22N2O4S
- Average molar mass
- 290.38 g/mol
Names & identifiers
- Preferred name
- (cis)-1-Methanesulphonyloxy-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexane
- IUPAC
- [4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl] methanesulfonate
Names & synonyms
SCHEMBL2286443SCHEMBL2286445SCHEMBL4108559ODHXWVQVZILUJT-PHIMTYICSA-NODHXWVQVZILUJT-XYPYZODXSA-N(cis)-1-methanesulphonyloxy-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexane(trans)-1-methanesulphonyloxy-4-(4-methyl-3-oxo-piperazin-1-yl)-cyclohexane
Database identifiers
- PubChem CID
- 44632515
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
5 records
Compound notes
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