AG001MMY

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]-

AG001MMY

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CAS Number	150448-66-1
Catalog Number	AG001MMY(AGN-PC-0Q4QUW)
Chemical Name	Ethanone, 1-[(3aR,6S,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-
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
MDL Number	MFCD00269650
Molecular Formula	C12H19NO3S
Molecular Weight	257.3492
SMILES	CC(N([C@]1([H])[C@@](CC[C@@]2([H])C1)(C2(C)C)C3)S3(=O)=O)=O
Synonyms	150448-66-1, 1-((3aR,6S,7aS)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)ethanone, N-Acetyl-(2S)-bornane-10,2-sultam, N-ACETYL-(2S)-BORNANE 10,2-SULTAM, Ethanone, 1-[(3aR,6S,7aS)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-, SCHEMBL16021267, KS-00000C8N, ZINC4282385, 7216AJ, AKOS016013202, (S)-(+)-Acetyl-2,10-camphorsultam, AC-28347, AJ-50135, CJ-11823, AM20120711, C12H19NO3S, FECARJHVTMSYSJ-NHCYSSNCSA-N, ZINC02562258, CID7167461,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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