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88184-89-8 | Piperidine, 1-[[4-(phenylthio)-3-pyridinyl]sulfonyl]-
CAS No: 88184-89-8 Catalog No: AG004CDV MDL No:
Product Description
Catalog Number:
AG004CDV
Chemical Name:
Piperidine, 1-[[4-(phenylthio)-3-pyridinyl]sulfonyl]-
CAS Number:
88184-89-8
Molecular Formula:
C16H18N2O2S2
Molecular Weight:
334.4563
IUPAC Name:
4-phenylsulfanyl-3-piperidin-1-ylsulfonylpyridine
InChI:
InChI=1S/C16H18N2O2S2/c19-22(20,18-11-5-2-6-12-18)16-13-17-10-9-15(16)21-14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2
InChI Key:
NNXZYTNGPWRICN-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cnccc1Sc1ccccc1)N1CCCCC1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.081g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.452g/mol
Monoisotopic Mass:
334.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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