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

• ChemBase ID: 273625
• Molecular Formular: C11H22N2S
• Molecular Mass: 214.37078
• Monoisotopic Mass: 214.15036971
• SMILES: N1(C2(CN)CCCCC2)CCSCC1
• Canonical SMILES: NCC1(CCCCC1)N1CCSCC1
• InChI: InChI=1S/C11H22N2S/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2
• InChIKey: XDIJCJULDXMESE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11172153
• PubChem SID: 164329535
• PubChem CID: 28787090

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.39354
• LogD (pH = 7.4): -1.066292
• Log P: 1.4773836
• Molar Refractivity: 64.2018 cm^3
• Polarizability: 25.662766 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.335

Product Information

• Purity: 95%