Home Sulfos 1-[4-(propan-2-yl)benzenesulfonyl]piperidine-4-carboxylic acid

1-[4-(propan-2-yl)benzenesulfonyl]piperidine-4-carboxylic acid

CAS No.:
727983-30-4
Catalog Number:
AG019J4I
Molecular Formula:
C15H21NO4S
Molecular Weight:
311.3965
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Product Description
Catalog Number:
AG019J4I
Chemical Name:
1-[4-(propan-2-yl)benzenesulfonyl]piperidine-4-carboxylic acid
CAS Number:
727983-30-4
Molecular Formula:
C15H21NO4S
Molecular Weight:
311.3965
MDL Number:
MFCD04620388
IUPAC Name:
1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C15H21NO4S/c1-11(2)12-3-5-14(6-4-12)21(19,20)16-9-7-13(8-10-16)15(17)18/h3-6,11,13H,7-10H2,1-2H3,(H,17,18)
InChI Key:
MJDDNPKZZMWMRV-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)O)C
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.119g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.396g/mol
Monoisotopic Mass:
311.119g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties