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Home Sulfos 1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid

1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid

CAS No.:
5134-62-3
Catalog Number:
AG00D8N9
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$47
- +
250mg
95%
In Stock USA
United States
$89
- +
1g
95%
In Stock USA
United States
$179
- +
Product Description
Catalog Number:
AG00D8N9
Chemical Name:
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid
CAS Number:
5134-62-3
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
MDL Number:
MFCD00724055
IUPAC Name:
1-(4-methylphenyl)sulfonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C13H17NO4S/c1-10-4-6-12(7-5-10)19(17,18)14-8-2-3-11(9-14)13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H,15,16)
InChI Key:
IZPMTGWZPCZFNW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
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