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Home Sulfos 4-(4-(Methylsulfonyl)piperazin-1-yl)aniline

4-(4-(Methylsulfonyl)piperazin-1-yl)aniline

CAS No.:
442549-42-0
Catalog Number:
AG00D8MZ
Molecular Formula:
C11H17N3O2S
Molecular Weight:
255.3366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$49
- +
Product Description
Catalog Number:
AG00D8MZ
Chemical Name:
4-(4-(Methylsulfonyl)piperazin-1-yl)aniline
CAS Number:
442549-42-0
Molecular Formula:
C11H17N3O2S
Molecular Weight:
255.3366
MDL Number:
MFCD03848236
IUPAC Name:
4-(4-methylsulfonylpiperazin-1-yl)aniline
InChI:
InChI=1S/C11H17N3O2S/c1-17(15,16)14-8-6-13(7-9-14)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChI Key:
DFLQDPGZILSRHW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N1CCN(CC1)S(=O)(=O)C
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.104g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.336g/mol
Monoisotopic Mass:
255.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
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