Home Sulfos 5-[3-(piperidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-thiol

5-[3-(piperidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-thiol

CAS No.:
377769-50-1
Catalog Number:
AG019HC2
Molecular Formula:
C13H15N3O3S2
Molecular Weight:
325.4065
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Product Description
Catalog Number:
AG019HC2
Chemical Name:
5-[3-(piperidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-thiol
CAS Number:
377769-50-1
Molecular Formula:
C13H15N3O3S2
Molecular Weight:
325.4065
MDL Number:
MFCD03970388
IUPAC Name:
5-(3-piperidin-1-ylsulfonylphenyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C13H15N3O3S2/c17-21(18,16-7-2-1-3-8-16)11-6-4-5-10(9-11)12-14-15-13(20)19-12/h4-6,9H,1-3,7-8H2,(H,15,20)
InChI Key:
PAMDAAGNLDVUIQ-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
535  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.055g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.401g/mol
Monoisotopic Mass:
325.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties