Home Sulfos 1-(4-tert-butylbenzenesulfonyl)piperidine-4-carboxylic acid

1-(4-tert-butylbenzenesulfonyl)piperidine-4-carboxylic acid

CAS No.:
757192-86-2
Catalog Number:
AG019JQR
Molecular Formula:
C16H23NO4S
Molecular Weight:
325.4231
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Product Description
Catalog Number:
AG019JQR
Chemical Name:
1-(4-tert-butylbenzenesulfonyl)piperidine-4-carboxylic acid
CAS Number:
757192-86-2
Molecular Formula:
C16H23NO4S
Molecular Weight:
325.4231
MDL Number:
MFCD06340104
IUPAC Name:
1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C16H23NO4S/c1-16(2,3)13-4-6-14(7-5-13)22(20,21)17-10-8-12(9-11-17)15(18)19/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChI Key:
CJADWPAXLWZMKQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
487  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.135g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.423g/mol
Monoisotopic Mass:
325.135g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties