tert-butyl 3-(chlorosulfonyl)piperidine-1-carboxylate

• ChemBase ID: 801295
• Molecular Formular: C10H18ClNO4S
• Molecular Mass: 283.77222
• Monoisotopic Mass: 283.06450674
• SMILES: C1CCN(CC1S(=O)(=O)Cl)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC(C1)S(=O)(=O)Cl)OC(C)(C)C
• InChI: InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3
• InChIKey: GNGWMWXDMXELMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(chlorosulfonyl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(chlorosulfonyl)piperidine-1-carboxylate
• Synonyms: TERT-BUTYL 3-(CHLOROSULFONYL)PIPERIDINE-1-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4937553
• LogD (pH = 7.4): 1.4937553
• Log P: 1.4937553
• Molar Refractivity: 65.2815 cm^3
• Polarizability: 26.545523 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%