2-aminocyclohexane-1-sulfonamide

• ChemBase ID: 276042
• Molecular Formular: C6H14N2O2S
• Molecular Mass: 178.25256
• Monoisotopic Mass: 178.0775987
• SMILES: S(=O)(=O)(C1C(N)CCCC1)N
• Canonical SMILES: NC1CCCCC1S(=O)(=O)N
• InChI: InChI=1S/C6H14N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h5-6H,1-4,7H2,(H2,8,9,10)
• InChIKey: VYECHIIVAZFIRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclohexane-1-sulfonamide
• IUPAC Traditional name: 2-aminocyclohexane-1-sulfonamide
• Synonyms: 2-aminocyclohexane-1-sulfonamide

Database IDs

• MDL Number: MFCD19382019
• PubChem SID: 164331952
• PubChem CID: 44227890

CALCULATED PROPERTIES

• Acid pKa: 10.899196
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4665253
• LogD (pH = 7.4): -2.0413322
• Log P: -0.613386
• Molar Refractivity: 42.3477 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.433

Product Information

• Purity: 95%