2-cyclopropylmethanesulfonylethan-1-amine hydrochloride

• ChemBase ID: 239472
• Molecular Formular: C6H14ClNO2S
• Molecular Mass: 199.69886
• Monoisotopic Mass: 199.04337737
• SMILES: S(=O)(=O)(CCN)CC1CC1.Cl
• Canonical SMILES: NCCS(=O)(=O)CC1CC1.Cl
• InChI: InChI=1S/C6H13NO2S.ClH/c7-3-4-10(8,9)5-6-1-2-6;/h6H,1-5,7H2;1H
• InChIKey: MFKGFGJVEUGMGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylmethanesulfonylethan-1-amine hydrochloride
• IUPAC Traditional name: 2-cyclopropylmethanesulfonylethanamine hydrochloride
• Synonyms: 2-cyclopropylmethanesulfonylethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22378751
• PubChem SID: 164295382
• PubChem CID: 71756419

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.608642
• LogD (pH = 7.4): -1.954183
• Log P: -1.0129999
• Molar Refractivity: 39.8452 cm^3
• Polarizability: 16.779062 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.669

Product Information

• Purity: 95%