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Home Sulfos 1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxylic acid

1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxylic acid

CAS No.:
757192-81-7
Catalog Number:
AG019JQN
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
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Product Description
Catalog Number:
AG019JQN
Chemical Name:
1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxylic acid
CAS Number:
757192-81-7
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
MDL Number:
MFCD06340098
IUPAC Name:
1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C14H19NO4S/c1-10-3-4-13(11(2)9-10)20(18,19)15-7-5-12(6-8-15)14(16)17/h3-4,9,12H,5-8H2,1-2H3,(H,16,17)
InChI Key:
HXHCPNPCXHOMLI-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1C)C
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties