2-methanesulfonylcyclohexan-1-amine

• ChemBase ID: 266354
• Molecular Formular: C7H15NO2S
• Molecular Mass: 177.2645
• Monoisotopic Mass: 177.08234973
• SMILES: S(=O)(=O)(C1C(N)CCCC1)C
• Canonical SMILES: NC1CCCCC1S(=O)(=O)C
• InChI: InChI=1S/C7H15NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3
• InChIKey: MBOUYTIVZNSOKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methanesulfonylcyclohexan-1-amine
• IUPAC Traditional name: 2-methanesulfonylcyclohexan-1-amine
• Synonyms: 2-methanesulfonylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD15209654
• PubChem SID: 164322264
• PubChem CID: 14615351

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1726859
• LogD (pH = 7.4): -1.6602635
• Log P: -0.3791082
• Molar Refractivity: 44.1934 cm^3
• Polarizability: 18.61201 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.24

Product Information

• Purity: 95%