(dibutylsulfamoyl)amine

• ChemBase ID: 267760
• Molecular Formular: C8H20N2O2S
• Molecular Mass: 208.3216
• Monoisotopic Mass: 208.12454889
• SMILES: S(=O)(=O)(N(CCCC)CCCC)N
• Canonical SMILES: CCCCN(S(=O)(=O)N)CCCC
• InChI: InChI=1S/C8H20N2O2S/c1-3-5-7-10(8-6-4-2)13(9,11)12/h3-8H2,1-2H3,(H2,9,11,12)
• InChIKey: CWJCHJJDYIRWMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11205277
• PubChem SID: 164323670
• PubChem CID: 15569632

CALCULATED PROPERTIES

• Acid pKa: 11.239617
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1038456
• LogD (pH = 7.4): 1.1037906
• Log P: 1.1038462
• Molar Refractivity: 54.3822 cm^3
• Polarizability: 22.315718 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.367

Product Information

• Purity: 95%