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Home Sulfos 3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide

3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide

CAS No.:
1087784-54-0
Catalog Number:
AG019MZZ
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
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Product Description
Catalog Number:
AG019MZZ
Chemical Name:
3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
CAS Number:
1087784-54-0
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD11099620
IUPAC Name:
3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
InChI:
InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)
InChI Key:
UVJPSTJAUUZEKC-UHFFFAOYSA-N
SMILES:
CC1CNc2c(C1)cccc2S(=O)(=O)N
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. Journal of medicinal chemistry 20160324
Properties