(benzylsulfamoyl)[2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 693398
• Molecular Formular: C13H21N3O3S
• Molecular Mass: 299.38914
• Monoisotopic Mass: 299.13036255
• SMILES: S(=O)(=O)(NCc1ccccc1)NCCN1CCOCC1
• Canonical SMILES: O=S(=O)(NCc1ccccc1)NCCN1CCOCC1
• InChI: InChI=1S/C13H21N3O3S/c17-20(18,15-12-13-4-2-1-3-5-13)14-6-7-16-8-10-19-11-9-16/h1-5,14-15H,6-12H2
• InChIKey: SHQKMAYOKFPWMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)[2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: (benzylsulfamoyl)[2-(morpholin-4-yl)ethyl]amine
• Synonyms: N-benzyl-N'-(2-morpholin-4-ylethyl)sulfamide

CALCULATED PROPERTIES

JChem

• Polarizability: 31.5581 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 10.69478
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.45230842
• LogD (pH = 7.4): -0.02879386
• Log P: -0.019334598
• Molar Refractivity: 78.3412 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 2
• Log P: 0.41
• LOG S: -0.73