Home Sulfos 1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxylic acid

1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxylic acid

CAS No.:
1171069-02-5
Catalog Number:
AG01A7JS
Molecular Formula:
C11H17N3O4S
Molecular Weight:
287.3354
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Product Description
Catalog Number:
AG01A7JS
Chemical Name:
1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
CAS Number:
1171069-02-5
Molecular Formula:
C11H17N3O4S
Molecular Weight:
287.3354
MDL Number:
MFCD14281330
IUPAC Name:
1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C11H17N3O4S/c1-8-12-10(7-13(8)2)19(17,18)14-5-3-9(4-6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
InChI Key:
GLQFVIHELXKZGG-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)c1cn(c(n1)C)C
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.334g/mol
Monoisotopic Mass:
287.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties