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Home Sulfos 1-(4-aminobenzenesulfonyl)piperidine-3-carboxylic acid

1-(4-aminobenzenesulfonyl)piperidine-3-carboxylic acid

CAS No.:
606097-80-7
Catalog Number:
AG019Y2Q
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
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Product Description
Catalog Number:
AG019Y2Q
Chemical Name:
1-(4-aminobenzenesulfonyl)piperidine-3-carboxylic acid
CAS Number:
606097-80-7
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
MDL Number:
MFCD03753656
IUPAC Name:
1-(4-aminophenyl)sulfonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C12H16N2O4S/c13-10-3-5-11(6-4-10)19(17,18)14-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8,13H2,(H,15,16)
InChI Key:
GAGYZNBUGHVVSV-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)N
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
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