piperidine-3-sulfonyl chloride

• ChemBase ID: 814296
• Molecular Formular: C5H10ClNO2S
• Molecular Mass: 183.6564
• Monoisotopic Mass: 183.01207725
• SMILES: C1CCNCC1S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)C1CCCNC1
• InChI: InChI=1S/C5H10ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h5,7H,1-4H2
• InChIKey: WLUQVAITSLLLAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-3-sulfonyl chloride
• IUPAC Traditional name: piperidine-3-sulfonyl chloride
• Synonyms: piperidine-3-sulfonyl chloride

Database IDs

• CAS Number: 1196152-41-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.180058
• LogD (pH = 7.4): -0.4500936
• Log P: 0.2105623
• Molar Refractivity: 40.2864 cm^3
• Polarizability: 16.907303 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%