N-(2-methanesulfonylethyl)cyclopropanamine

• ChemBase ID: 242812
• Molecular Formular: C6H13NO2S
• Molecular Mass: 163.23792
• Monoisotopic Mass: 163.06669966
• SMILES: S(=O)(=O)(CCNC1CC1)C
• Canonical SMILES: CS(=O)(=O)CCNC1CC1
• InChI: InChI=1S/C6H13NO2S/c1-10(8,9)5-4-7-6-2-3-6/h6-7H,2-5H2,1H3
• InChIKey: CZELEQBIQIGLCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methanesulfonylethyl)cyclopropanamine
• IUPAC Traditional name: N-(2-methanesulfonylethyl)cyclopropanamine
• Synonyms: N-(2-methanesulfonylethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD12797933
• PubChem SID: 164298722
• PubChem CID: 60712135

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7494857
• LogD (pH = 7.4): -2.0404341
• Log P: -1.0476214
• Molar Refractivity: 39.972 cm^3
• Polarizability: 16.779062 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.753

Product Information

• Purity: 95%