ethyl 3-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxylate

• ChemBase ID: 835144
• Molecular Formular: C17H26N2O4S
• Molecular Mass: 354.46434
• Monoisotopic Mass: 354.16132832
• SMILES: S(=O)(=O)(N1CC(C(=O)OCC)(Cc2ccccc2)CCC1)N(C)C
• Canonical SMILES: CCOC(=O)C1(CCCN(C1)S(=O)(=O)N(C)C)Cc1ccccc1
• InChI: InChI=1S/C17H26N2O4S/c1-4-23-16(20)17(13-15-9-6-5-7-10-15)11-8-12-19(14-17)24(21,22)18(2)3/h5-7,9-10H,4,8,11-14H2,1-3H3
• InChIKey: GZFCHLJGMTYPMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxylate
• IUPAC Traditional name: ethyl 3-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxylate
• Synonyms: ethyl 3-benzyl-1-[(dimethylamino)sulfonyl]-3-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7695061
• LogD (pH = 7.4): 1.7695074
• Log P: 1.7695074
• Molar Refractivity: 93.371 cm^3
• Polarizability: 37.47609 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.03
• LOG S: -3.46
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3