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Home > Other Heterocycles > 1955523-40-6
1955523-40-6 | N-{bicyclo[2.2.2]octan-1-yl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CAS No: 1955523-40-6 Catalog No: AG01C6I9 MDL No:MFCD30180394
Product Description
Catalog Number:
AG01C6I9
Chemical Name:
N-{bicyclo[2.2.2]octan-1-yl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CAS Number:
1955523-40-6
Molecular Formula:
C14H21NO2S
Molecular Weight:
267.3870
MDL Number:
MFCD30180394
IUPAC Name:
N-(1-bicyclo[2.2.2]octanyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
InChI:
InChI=1S/C14H21NO2S/c1-10-12(18-9-8-17-10)13(16)15-14-5-2-11(3-6-14)4-7-14/h11H,2-9H2,1H3,(H,15,16)
InChI Key:
CGXPXPJOPSDGOI-UHFFFAOYSA-N
SMILES:
O=C(C1=C(C)OCCS1)NC12CCC(CC1)CC2
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.387g/mol
Monoisotopic Mass:
267.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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