[1-(thiomorpholin-4-yl)cyclopentyl]methanamine

• ChemBase ID: 257346
• Molecular Formular: C10H20N2S
• Molecular Mass: 200.3442
• Monoisotopic Mass: 200.13471965
• SMILES: N1(C2(CN)CCCC2)CCSCC1
• Canonical SMILES: NCC1(CCCC1)N1CCSCC1
• InChI: InChI=1S/C10H20N2S/c11-9-10(3-1-2-4-10)12-5-7-13-8-6-12/h1-9,11H2
• InChIKey: SCWMAKVILHASMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(thiomorpholin-4-yl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(thiomorpholin-4-yl)cyclopentyl]methanamine
• Synonyms: (1-thiomorpholin-4-ylcyclopentyl)methylamine

Database IDs

• MDL Number: MFCD11099664
• PubChem SID: 164313256
• PubChem CID: 28787098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.722346
• LogD (pH = 7.4): -1.4050497
• Log P: 1.032815
• Molar Refractivity: 59.6008 cm^3
• Polarizability: 23.817442 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.776

Product Information

• Purity: 95%