1-[(3aS,6R,7aR)-Tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-2-propen-1-one

CAS Registry Number®

94594-91-9
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CAS Name

1-[(3aS,6R,7aR)-Tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-2-propen-1-one

Molecular Formula

C13H19NO3S

Molecular Mass

269.36

Cite this Page

1-[(3aS,6R,7aR)-Tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-2-propen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94594-91-9 (retrieved 2024-07-02) (CAS RN: 94594-91-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    203-205 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H19NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h4,9-10H,1,5-8H2,2-3H3/t9-,10-,13-/m1/s1

InChIKey

InChIKey=QYWKUFBZHFLMBU-GIPNMCIBSA-N

SMILES

CC1(C)[C@@]23[C@](N(C(C=C)=O)S(=O)(=O)C2)(C[C@]1(CC3)[H])[H]

Canonical SMILES

O=C(C=C)N1C2CC3CCC2(CS1(=O)=O)C3(C)C

Other Names for this Substance

  • 2-Propen-1-one, 1-[(3aS,6R,7aR)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-
  • 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-propenyl)-, 2,2-dioxide, [3aS-(3aα,6α,7aβ)]-
  • 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-propenyl)-, 2,2-dioxide, (3aS,6R,7aR)-
  • 1-[(3aS,6R,7aR)-Tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-2-propen-1-one
  • (-)-(3aS,6R,7aR)-Hexahydro-8,8-dimethyl-1-(1-oxo-2-propenyl)-3H-3a,6-methano-2,1-benzisothiazole 2,2-dioxide