2-methanesulfonylcyclopentan-1-amine

• ChemBase ID: 281871
• Molecular Formular: C6H13NO2S
• Molecular Mass: 163.23792
• Monoisotopic Mass: 163.06669966
• SMILES: S(=O)(=O)(C1C(N)CCC1)C
• Canonical SMILES: NC1CCCC1S(=O)(=O)C
• InChI: InChI=1S/C6H13NO2S/c1-10(8,9)6-4-2-3-5(6)7/h5-6H,2-4,7H2,1H3
• InChIKey: GKPNHSIGALZAJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD15209750
• PubChem SID: 180667402
• PubChem CID: 47003529

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6172438
• LogD (pH = 7.4): -2.1048083
• Log P: -0.8236768
• Molar Refractivity: 39.5924 cm^3
• Polarizability: 16.779062 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.799

Product Information

• Purity: 95%