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132251-82-2 | Piperidine, 1-(methylsulfonyl)-4-(phenylmethyl)-
CAS No: 132251-82-2 Catalog No: AG0010FR MDL No:
Product Description
Catalog Number:
AG0010FR
Chemical Name:
Piperidine, 1-(methylsulfonyl)-4-(phenylmethyl)-
CAS Number:
132251-82-2
Molecular Formula:
C13H19NO2S
Molecular Weight:
253.3605
IUPAC Name:
4-benzyl-1-methylsulfonylpiperidine
InChI:
InChI=1S/C13H19NO2S/c1-17(15,16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChI Key:
XDRPHPUMBKGZKY-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CCC(CC1)Cc1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.36g/mol
Monoisotopic Mass:
253.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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