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116943-66-9 | 3-Oxazolidinesulfonamide, 2-oxo-N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 116943-66-9 Catalog No: AG000DE2 MDL No:
Product Description
Catalog Number:
AG000DE2
Chemical Name:
3-Oxazolidinesulfonamide, 2-oxo-N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
116943-66-9
Molecular Formula:
C13H20N2O4S
Molecular Weight:
300.3739
IUPAC Name:
N-(1-adamantyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
InChI:
InChI=1S/C13H20N2O4S/c16-12-15(1-2-19-12)20(17,18)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,14H,1-8H2
InChI Key:
JXOYKZFIQZQMGO-UHFFFAOYSA-N
SMILES:
O=C1OCCN1S(=O)(=O)NC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.373g/mol
Monoisotopic Mass:
300.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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