tert-butyl N-(1-methanesulfonylpiperidin-4-yl)carbamate

• ChemBase ID: 798246
• Molecular Formular: C11H22N2O4S
• Molecular Mass: 278.36838
• Monoisotopic Mass: 278.13002819
• SMILES: N(C(=O)OC(C)(C)C)C1CCN(CC1)S(=O)(=O)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)12-9-5-7-13(8-6-9)18(4,15)16/h9H,5-8H2,1-4H3,(H,12,14)
• InChIKey: BVSNHVUSSUREGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(1-methanesulfonylpiperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(1-methanesulfonylpiperidin-4-yl)carbamate
• Synonyms: tert-Butyl (1-(Methylsulfonyl)piperidin-4-yl)carbaMate

Database IDs

• CAS Number: 287953-38-2

CALCULATED PROPERTIES

• Acid pKa: 14.621692
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.38462222
• LogD (pH = 7.4): -0.38462222
• Log P: -0.38462222
• Molar Refractivity: 68.1151 cm^3
• Polarizability: 27.570126 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%