(1-methanesulfonylcyclopentyl)methanamine

• ChemBase ID: 281889
• Molecular Formular: C7H15NO2S
• Molecular Mass: 177.2645
• Monoisotopic Mass: 177.08234973
• SMILES: S(=O)(=O)(C1(CN)CCCC1)C
• Canonical SMILES: NCC1(CCCC1)S(=O)(=O)C
• InChI: InChI=1S/C7H15NO2S/c1-11(9,10)7(6-8)4-2-3-5-7/h2-6,8H2,1H3
• InChIKey: YIHCDJHLBGVHNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methanesulfonylcyclopentyl)methanamine
• IUPAC Traditional name: (1-methanesulfonylcyclopentyl)methanamine
• Synonyms: (1-methanesulfonylcyclopentyl)methanamine

Database IDs

• MDL Number: MFCD16040179
• PubChem SID: 180667420
• PubChem CID: 47003544

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0468059
• LogD (pH = 7.4): -1.4370106
• Log P: -0.3629173
• Molar Refractivity: 44.5366 cm^3
• Polarizability: 18.61201 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.18

Product Information

• Purity: 95%