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Home Sulfos 1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid

1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid

CAS No.:
875163-17-0
Catalog Number:
AG00IENG
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
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Product Description
Catalog Number:
AG00IENG
Chemical Name:
1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid
CAS Number:
875163-17-0
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
MDL Number:
MFCD07838407
IUPAC Name:
1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C10H14N2O4S/c1-11-7-8(6-9(11)10(13)14)17(15,16)12-4-2-3-5-12/h6-7H,2-5H2,1H3,(H,13,14)
InChI Key:
XCASDHUJXYSWLK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cn1C)S(=O)(=O)N1CCCC1
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.292g/mol
Monoisotopic Mass:
258.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ. PloS one 20120101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties