3-(ethylsulfanyl)cyclopentan-1-amine

• ChemBase ID: 284728
• Molecular Formular: C7H15NS
• Molecular Mass: 145.2657
• Monoisotopic Mass: 145.09252049
• SMILES: C1C(SCC)CCC1N
• Canonical SMILES: CCSC1CCC(C1)N
• InChI: InChI=1S/C7H15NS/c1-2-9-7-4-3-6(8)5-7/h6-7H,2-5,8H2,1H3
• InChIKey: NSNGAXYXFQFJHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethylsulfanyl)cyclopentan-1-amine
• IUPAC Traditional name: 3-(ethylsulfanyl)cyclopentan-1-amine
• Synonyms: 3-(ethylsulfanyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD20403061
• PubChem SID: 180670259
• PubChem CID: 56806535

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9701756
• LogD (pH = 7.4): -1.6690558
• Log P: 1.0573611
• Molar Refractivity: 43.4845 cm^3
• Polarizability: 17.495092 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.322

Product Information

• Purity: 95%