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89151-31-5 | 2H-1,2,6-Thiadiazine, tetrahydro-2-[1-(4-pyridinyl)propyl]-, 1,1-dioxide
CAS No: 89151-31-5 Catalog No: AG003WS9 MDL No:
Product Description
Catalog Number:
AG003WS9
Chemical Name:
2H-1,2,6-Thiadiazine, tetrahydro-2-[1-(4-pyridinyl)propyl]-, 1,1-dioxide
CAS Number:
89151-31-5
Molecular Formula:
C11H17N3O2S
Molecular Weight:
255.3366
IUPAC Name:
2-(1-pyridin-4-ylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
InChI:
InChI=1S/C11H17N3O2S/c1-2-11(10-4-7-12-8-5-10)14-9-3-6-13-17(14,15)16/h4-5,7-8,11,13H,2-3,6,9H2,1H3
InChI Key:
OFUGDLHQMWWXCF-UHFFFAOYSA-N
SMILES:
CCC(N1CCCNS1(=O)=O)c1ccncc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.336g/mol
Monoisotopic Mass:
255.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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