3-(3-Cyanophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-(3-Cyanophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester
• CAS No.: 887589-95-9
• Molecular Formula: C17H22 N2 O4 S
• Molecular Weight: 350.43
• DSSTox Substance ID: DTXSID90698778
• Mol file: 887589-95-9.mol

Synonyms:887589-95-9;3-(3-cyanophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester;tert-butyl 3-(3-cyanophenyl)sulfonylpiperidine-1-carboxylate;3-(3-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;DTXSID90698778;tert-Butyl 3-(3-cyanobenzene-1-sulfonyl)piperidine-1-carboxylate

Chemical Property of 3-(3-Cyanophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 95.85000
• LogP: 3.75018
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 350.13002836
• Heavy Atom Count: 24
• Complexity: 609

Purity/Quality:

99%min ^*data from raw suppliers

3-(3-cyano-benzenesulfonyl)-piperidine-1-carboxylicacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)C2=CC=CC(=C2)C#N