(benzylsulfamoyl)(methyl)[3-(oxolan-2-yl)propyl]amine

• ChemBase ID: 860606
• Molecular Formular: C15H24N2O3S
• Molecular Mass: 312.42766
• Monoisotopic Mass: 312.15076364
• SMILES: S(=O)(=O)(NCc1ccccc1)N(CCCC1OCCC1)C
• Canonical SMILES: CN(S(=O)(=O)NCc1ccccc1)CCCC1CCCO1
• InChI: InChI=1S/C15H24N2O3S/c1-17(11-5-9-15-10-6-12-20-15)21(18,19)16-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3
• InChIKey: SSQIYXMWCNQPGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)(methyl)[3-(oxolan-2-yl)propyl]amine
• IUPAC Traditional name: (benzylsulfamoyl)(methyl)[3-(oxolan-2-yl)propyl]amine
• Synonyms: N'-benzyl-N-methyl-N-[3-(tetrahydrofuran-2-yl)propyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.175111
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4001069
• LogD (pH = 7.4): 1.4000442
• Log P: 1.4001088
• Molar Refractivity: 83.909 cm^3
• Polarizability: 33.704292 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.37
• LOG S: -2.65
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6