2-[(piperidine-1-sulfonyl)amino]ethan-1-ol

• ChemBase ID: 272601
• Molecular Formular: C7H16N2O3S
• Molecular Mass: 208.27854
• Monoisotopic Mass: 208.08816338
• SMILES: S(=O)(=O)(N1CCCCC1)NCCO
• Canonical SMILES: OCCNS(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C7H16N2O3S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h8,10H,1-7H2
• InChIKey: UMHXDZCFKNGXMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(piperidine-1-sulfonyl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(piperidine-1-sulfonyl)amino]ethanol
• Synonyms: 2-[(piperidine-1-sulfonyl)amino]ethan-1-ol

Database IDs

• MDL Number: MFCD12185468
• PubChem SID: 164328511
• PubChem CID: 10965724

CALCULATED PROPERTIES

• Acid pKa: 10.489247
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1600156
• LogD (pH = 7.4): -1.1603247
• Log P: -1.1600116
• Molar Refractivity: 49.966 cm^3
• Polarizability: 20.432806 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.033

Product Information

• Purity: 95%