Home Sulfos 1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid

1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid

CAS No.:
937609-24-0
Catalog Number:
AG01ABES
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
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Product Description
Catalog Number:
AG01ABES
Chemical Name:
1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CAS Number:
937609-24-0
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
MDL Number:
MFCD09053192
IUPAC Name:
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C12H18N2O4S/c1-9-4-3-5-14(7-9)19(17,18)10-6-11(12(15)16)13(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,16)
InChI Key:
VVDVFINHBVRBOY-UHFFFAOYSA-N
SMILES:
CC1CCCN(C1)S(=O)(=O)c1cn(c(c1)C(=O)O)C
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.346g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties