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Home Sulfos 4-[(3-Methylpiperidin-1-yl)sulfonyl]aniline

4-[(3-Methylpiperidin-1-yl)sulfonyl]aniline

CAS No.:
109069-00-3
Catalog Number:
AG008U8M
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG008U8M
Chemical Name:
4-[(3-Methylpiperidin-1-yl)sulfonyl]aniline
CAS Number:
109069-00-3
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
MDL Number:
MFCD02746182
IUPAC Name:
4-(3-methylpiperidin-1-yl)sulfonylaniline
InChI:
InChI=1S/C12H18N2O2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9,13H2,1H3
InChI Key:
USLQEPOHTJUPHK-UHFFFAOYSA-N
SMILES:
CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)N
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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