(diethylsulfamoyl)amine

• ChemBase ID: 267330
• Molecular Formular: C4H12N2O2S
• Molecular Mass: 152.21528
• Monoisotopic Mass: 152.06194863
• SMILES: S(=O)(=O)(N(CC)CC)N
• Canonical SMILES: CCN(S(=O)(=O)N)CC
• InChI: InChI=1S/C4H12N2O2S/c1-3-6(4-2)9(5,7)8/h3-4H2,1-2H3,(H2,5,7,8)
• InChIKey: YDQUCWMQMWNPLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11171676
• PubChem SID: 164323240
• PubChem CID: 14747387

CALCULATED PROPERTIES

• Acid pKa: 11.742567
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8303361
• LogD (pH = 7.4): -0.8303534
• Log P: -0.83033586
• Molar Refractivity: 36.1322 cm^3
• Polarizability: 14.991998 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.251

Product Information

• Purity: 95%