(dimethylsulfamoyl)(2-hydroxyethyl)amine

• ChemBase ID: 272343
• Molecular Formular: C4H12N2O3S
• Molecular Mass: 168.21468
• Monoisotopic Mass: 168.05686325
• SMILES: S(=O)(=O)(N(C)C)NCCO
• Canonical SMILES: OCCNS(=O)(=O)N(C)C
• InChI: InChI=1S/C4H12N2O3S/c1-6(2)10(8,9)5-3-4-7/h5,7H,3-4H2,1-2H3
• InChIKey: KZPGKVAAISIIFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethylsulfamoyl)(2-hydroxyethyl)amine
• IUPAC Traditional name: (dimethylsulfamoyl)(2-hydroxyethyl)amine
• Synonyms: (dimethylsulfamoyl)(2-hydroxyethyl)amine

Database IDs

• MDL Number: MFCD07528170
• PubChem SID: 164328253
• PubChem CID: 3657512

CALCULATED PROPERTIES

• Acid pKa: 11.207972
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0103798
• LogD (pH = 7.4): -2.0104375
• Log P: -2.0103776
• Molar Refractivity: 37.824 cm^3
• Polarizability: 15.676709 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.16

Product Information

• Purity: 95%