(diethylsulfamoyl)(ethyl)amine

• ChemBase ID: 268564
• Molecular Formular: C6H16N2O2S
• Molecular Mass: 180.26844
• Monoisotopic Mass: 180.09324876
• SMILES: S(=O)(=O)(N(CC)CC)NCC
• Canonical SMILES: CCNS(=O)(=O)N(CC)CC
• InChI: InChI=1S/C6H16N2O2S/c1-4-7-11(9,10)8(5-2)6-3/h7H,4-6H2,1-3H3
• InChIKey: FEGBCVVJGMDIML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethylsulfamoyl)(ethyl)amine
• IUPAC Traditional name: (diethylsulfamoyl)(ethyl)amine
• Synonyms: (diethylsulfamoyl)(ethyl)amine

Database IDs

• MDL Number: MFCD11618584
• PubChem SID: 164324474
• PubChem CID: 43213420

CALCULATED PROPERTIES

• Acid pKa: 12.100075
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2498542
• LogD (pH = 7.4): -0.24985953
• Log P: -0.24985185
• Molar Refractivity: 45.7775 cm^3
• Polarizability: 18.648598 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.575

Product Information

• Purity: 95%