N-(1-methanesulfonylpiperidin-4-ylidene)hydroxylamine

• ChemBase ID: 252876
• Molecular Formular: C6H12N2O3S
• Molecular Mass: 192.23608
• Monoisotopic Mass: 192.05686325
• SMILES: S(=O)(=O)(N1CCC(=NO)CC1)C
• Canonical SMILES: ON=C1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C6H12N2O3S/c1-12(10,11)8-4-2-6(7-9)3-5-8/h9H,2-5H2,1H3
• InChIKey: AKAMCNSWSJGOCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methanesulfonylpiperidin-4-ylidene)hydroxylamine
• IUPAC Traditional name: N-(1-methanesulfonylpiperidin-4-ylidene)hydroxylamine
• Synonyms: 1-(methylsulfonyl)piperidin-4-one oxime

Database IDs

• MDL Number: MFCD08691202
• PubChem SID: 164308786
• PubChem CID: 16227480

CALCULATED PROPERTIES

• Acid pKa: 10.279274
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0954615
• LogD (pH = 7.4): -1.096025
• Log P: -1.0954542
• Molar Refractivity: 44.1574 cm^3
• Polarizability: 17.908897 Å^3
• Polar Surface Area: 69.97 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.225

Product Information

• Purity: 95%