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150448-66-1 | Ethanone, 1-[(3aR,6S,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-
CAS No: 150448-66-1 Catalog No: AG001MMY MDL No:MFCD00269650
Product Description
Catalog Number:
AG001MMY
Chemical Name:
Ethanone, 1-[(3aR,6S,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-
CAS Number:
150448-66-1
Molecular Formula:
C12H19NO3S
Molecular Weight:
257.3492
MDL Number:
MFCD00269650
IUPAC Name:
1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]ethanone
InChI:
InChI=1S/C12H19NO3S/c1-8(14)13-10-6-9-4-5-12(10,11(9,2)3)7-17(13,15)16/h9-10H,4-7H2,1-3H3/t9-,10-,12-/m0/s1
InChI Key:
FECARJHVTMSYSJ-NHCYSSNCSA-N
SMILES:
CC(=O)N1[C@H]2C[C@H]3C([C@]2(CS1(=O)=O)CC3)(C)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
257.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.348g/mol
Monoisotopic Mass:
257.109g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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