2-(ethanesulfinyl)cyclohexan-1-amine

• ChemBase ID: 235769
• Molecular Formular: C8H17NOS
• Molecular Mass: 175.29168
• Monoisotopic Mass: 175.10308517
• SMILES: S(=O)(C1C(N)CCCC1)CC
• Canonical SMILES: CCS(=O)C1CCCCC1N
• InChI: InChI=1S/C8H17NOS/c1-2-11(10)8-6-4-3-5-7(8)9/h7-8H,2-6,9H2,1H3
• InChIKey: RMUUQKVHLRUUME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethanesulfinyl)cyclohexan-1-amine
• IUPAC Traditional name: 2-(ethanesulfinyl)cyclohexan-1-amine
• Synonyms: 2-(ethanesulfinyl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD20380845
• PubChem SID: 164291679
• PubChem CID: 64651718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.951345
• LogD (pH = 7.4): -1.916991
• Log P: 0.022995088
• Molar Refractivity: 49.479 cm^3
• Polarizability: 19.87622 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.378

Product Information

• Purity: 95%