(benzylsulfamoyl)(methyl)(oxan-2-ylmethyl)amine

• ChemBase ID: 865034
• Molecular Formular: C14H22N2O3S
• Molecular Mass: 298.40108
• Monoisotopic Mass: 298.13511357
• SMILES: S(=O)(=O)(N(CC1OCCCC1)C)NCc1ccccc1
• Canonical SMILES: CN(S(=O)(=O)NCc1ccccc1)CC1CCCCO1
• InChI: InChI=1S/C14H22N2O3S/c1-16(12-14-9-5-6-10-19-14)20(17,18)15-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3
• InChIKey: FLPCRVCFTJJHMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)(methyl)(oxan-2-ylmethyl)amine
• IUPAC Traditional name: (benzylsulfamoyl)(methyl)(oxan-2-ylmethyl)amine
• Synonyms: N'-benzyl-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.9850235
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2673534
• LogD (pH = 7.4): 1.2672551
• Log P: 1.2673551
• Molar Refractivity: 79.0 cm^3
• Polarizability: 31.866175 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.18
• LOG S: -2.38
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4