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1022-19-1 | Piperidine, 1-(1,1-dioxidobenzo[b]thien-3-yl)-
CAS No: 1022-19-1 Catalog No: AG0006W8 MDL No:
Product Description
Catalog Number:
AG0006W8
Chemical Name:
Piperidine, 1-(1,1-dioxidobenzo[b]thien-3-yl)-
CAS Number:
1022-19-1
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
3-piperidin-1-yl-1-benzothiophene 1,1-dioxide
InChI:
InChI=1S/C13H15NO2S/c15-17(16)10-12(14-8-4-1-5-9-14)11-6-2-3-7-13(11)17/h2-3,6-7,10H,1,4-5,8-9H2
InChI Key:
HAXRUOPYSZWQND-UHFFFAOYSA-N
SMILES:
O=S1(=O)C=C(c2c1cccc2)N1CCCCC1
NSC Number:
133592
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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