4-(3-Cyano-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 4-(3-Cyano-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester
• CAS No.: 887589-99-3
• Molecular Formula: C17H22 N2 O4 S
• Molecular Weight: 350.43
• DSSTox Substance ID: DTXSID80695332
• Wikidata: Q82624484
• Mol file: 887589-99-3.mol

Synonyms:887589-99-3;4-(3-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-(3-cyanophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester;DTXSID80695332;tert-Butyl 4-(3-cyanobenzene-1-sulfonyl)piperidine-1-carboxylate

Chemical Property of 4-(3-Cyano-benzenesulfonyl)-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: 601

Purity/Quality:

99%min ^*data from raw suppliers

4-(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)N1CCC(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N