Home Sulfos 2-methanesulfonamido-4-methylpentanoic acid

2-methanesulfonamido-4-methylpentanoic acid

CAS No.:
721444-62-8
Catalog Number:
AG019NUF
Molecular Formula:
C7H15NO4S
Molecular Weight:
209.2633
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Product Description
Catalog Number:
AG019NUF
Chemical Name:
2-methanesulfonamido-4-methylpentanoic acid
CAS Number:
721444-62-8
Molecular Formula:
C7H15NO4S
Molecular Weight:
209.2633
MDL Number:
MFCD06369236
IUPAC Name:
2-(methanesulfonamido)-4-methylpentanoic acid
InChI:
InChI=1S/C7H15NO4S/c1-5(2)4-6(7(9)10)8-13(3,11)12/h5-6,8H,4H2,1-3H3,(H,9,10)
InChI Key:
VEVSBWQOQMQCNE-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)NS(=O)(=O)C)C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.26g/mol
Monoisotopic Mass:
209.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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