2-(piperidin-1-yl)ethane-1-sulfonyl chloride

• ChemBase ID: 814297
• Molecular Formular: C7H14ClNO2S
• Molecular Mass: 211.70956
• Monoisotopic Mass: 211.04337737
• SMILES: C(CN1CCCCC1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)CCN1CCCCC1
• InChI: InChI=1S/C7H14ClNO2S/c8-12(10,11)7-6-9-4-2-1-3-5-9/h1-7H2
• InChIKey: WBJJAAXGNOYTCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(piperidin-1-yl)ethanesulfonyl chloride
• Synonyms: 2-(piperidin-1-yl)ethanesulfonyl chloride

Database IDs

• CAS Number: 1062293-75-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.21229237
• LogD (pH = 7.4): 0.80952305
• Log P: 0.8262226
• Molar Refractivity: 50.3881 cm^3
• Polarizability: 20.550398 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%