[1-(benzenesulfonyl)cyclopentyl]methanamine

• ChemBase ID: 258211
• Molecular Formular: C12H17NO2S
• Molecular Mass: 239.33388
• Monoisotopic Mass: 239.09799979
• SMILES: S(=O)(=O)(C1(CN)CCCC1)c1ccccc1
• Canonical SMILES: NCC1(CCCC1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H17NO2S/c13-10-12(8-4-5-9-12)16(14,15)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
• InChIKey: DRVCFAGQAUYLOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(benzenesulfonyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(benzenesulfonyl)cyclopentyl]methanamine
• Synonyms: [1-(benzenesulfonyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD11505646
• PubChem SID: 164314121
• PubChem CID: 39871991

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.83553934
• LogD (pH = 7.4): 0.82212394
• Log P: 1.7516087
• Molar Refractivity: 64.0652 cm^3
• Polarizability: 26.308285 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.57

Product Information

• Purity: 95%