N-(1-cyclopropylethyl)-N-methylaminosulfonamide

• ChemBase ID: 268060
• Molecular Formular: C6H14N2O2S
• Molecular Mass: 178.25256
• Monoisotopic Mass: 178.0775987
• SMILES: S(=O)(=O)(N(C(C1CC1)C)C)N
• Canonical SMILES: CC(N(S(=O)(=O)N)C)C1CC1
• InChI: InChI=1S/C6H14N2O2S/c1-5(6-3-4-6)8(2)11(7,9)10/h5-6H,3-4H2,1-2H3,(H2,7,9,10)
• InChIKey: GNILYEQEQQHYJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopropylethyl)-N-methylaminosulfonamide
• IUPAC Traditional name: N-(1-cyclopropylethyl)-N-methylaminosulfonamide
• Synonyms: N-(1-cyclopropylethyl)-N-methylaminosulfonamide

Database IDs

• MDL Number: MFCD12194527
• PubChem SID: 164323970
• PubChem CID: 43420731

CALCULATED PROPERTIES

• Acid pKa: 11.23964
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34680018
• LogD (pH = 7.4): -0.34685513
• Log P: -0.3467995
• Molar Refractivity: 42.9958 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.475

Product Information

• Purity: 95%