Ethyl 4-[(4-methylphenyl)sulfonyl]-1-piperazinecarboxylate
Basic information
- CAS
27106-47-4- Standard SMILES
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1- InChIKey
QAANTRUGYDHFPN-UHFFFAOYSA-N- Molecular formula
- C14H20N2O4S
- Average molar mass
- 312.39 g/mol
- Monoisotopic mass
- 312.1143783
Names & identifiers
- Preferred name
- Ethyl 4-[(4-methylphenyl)sulfonyl]-1-piperazinecarboxylate
- IUPAC
- ethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
Names & synonyms
27106-47-4Ethyl 4-[(4-methylphenyl)sulfonyl]-1-piperazinecarboxylateEthyl 4-((4-methylphenyl)sulfonyl)-1-piperazinecarboxylateRefChem:343631ethyl 4-tosylpiperazine-1-carboxylateethyl 4-[(4-methylphenyl)sulfonyl]piperazine-1-carboxylate4-[(4-methylphenyl)sulfonyl]-1-Piperazinecarboxylic acid, ethyl ester (ACI)ethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylateOprea1_127723Oprea1_262622MLS001208079F0869-0047
Show more names
CHEMBL1867104DTXSID001191622HMS2841O154-(Toluene-4-sulfonyl)-piperazine-1-carboxylic acid ethyl esterSTL169515AKOS000383796SMR000517172ST012466
Database identifiers
- CAS
27106-47-4- PubChem CID
- 720863
- DTXSID
DTXSID001191622- ChEMBL
CHEMBL1867104
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Experimental & physicochemical properties
Solubility28.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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