4-(thiomorpholine-4-carbonyl)cyclohexan-1-amine

• ChemBase ID: 268009
• Molecular Formular: C11H20N2OS
• Molecular Mass: 228.3543
• Monoisotopic Mass: 228.12963427
• SMILES: C(=O)(N1CCSCC1)C1CCC(N)CC1
• Canonical SMILES: NC1CCC(CC1)C(=O)N1CCSCC1
• InChI: InChI=1S/C11H20N2OS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h9-10H,1-8,12H2
• InChIKey: RSHLHEJTFQCQEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiomorpholine-4-carbonyl)cyclohexan-1-amine
• IUPAC Traditional name: 4-(thiomorpholine-4-carbonyl)cyclohexan-1-amine
• Synonyms: 4-[(thiomorpholin-4-yl)carbonyl]cyclohexan-1-amine

Database IDs

• MDL Number: MFCD12163629
• PubChem SID: 164323919
• PubChem CID: 47003192

CALCULATED PROPERTIES

• Polarizability: 25.329313 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6247177
• LogD (pH = 7.4): -2.172725
• Log P: 0.39812446
• Molar Refractivity: 64.1486 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.034

Product Information

• Purity: 95%