3H-3A,6-Methano-2,1-Benzisothiazole, 4,5,6,7-Tetrahydro-8,8-Dimethyl-, 2,2-Dioxide, (3Ar,6S)-

CAS: 107869-45-4 | C10H15NO2S

Loading 3D structure...

CAS Registry Number: 107869-45-4

Molecular Formula: C10H15NO2S

Molecular Mass: 213.30 g/mol

3H-3A,6-Methano-2,1-Benzisothiazole, 4,5,6,7-Tetrahydro-8,8-Dimethyl-, 2,2-Dioxide, (3Ar,6S)-

3H-3a,6-Methano-2,1-benzisothiazole, 4,5,6,7-tetrahydro-8,8-dimethyl-, 2,2-dioxide, (3aR,6S)-

3H-3a,6-Methano-2,1-benzisothiazole, 4,5,6,7-tetrahydro-8,8-dimethyl-, 2,2-dioxide, (3aR)-

(1R)-10,10-Dimethyl-3λ[6]-thia-4-azatricyclo[5.2.1.0[1,5]]dec-4-ene-3,3-dione

(1R)-10,10-Dimethyl-3-thia-4-azatricyclo[5.2.1.0[1,5]]dec-4-ene-3,3-dione

CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N=C3C2

InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3/t7-,10-/m0/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	213.30 g/mol	CAS Common Chemistry
	213.302 g/mol	RDKit
	213.08234972 g/mol	RDKit
Canonical SMILES	O=S1(=O)N=C2CC3CCC2(C1)C3(C)C	CAS Common Chemistry
InChI	InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3/t7-,10-/m0/s1	CAS Common Chemistry
InChI Key	InChIKey=ZAHOEBNYVSWBBW-XVKPBYJWSA-N	CAS Common Chemistry
Name	3H-3a,6-Methano-2,1-benzisothiazole, 4,5,6,7-tetrahydro-8,8-dimethyl-, 2,2-dioxide, (3aR,6S)-	CAS Common Chemistry
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	46.5 Å²	RDKit
LogP	1.5971000000000002	RDKit
Molar Refractivity	54.77680000000004	RDKit