(3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide

C14H19NO2S — CID 10706827

IUPAC(3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide
SMILESC[C@@]1(C2CCCCC2)NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H19NO2S/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)18(16,17)15-14/h5-6,9-11,15H,2-4,7-8H2,1H3/t14-/m0/s1
InChIKeyADZDJLBNKQLLKI-AWEZNQCLSA-N
MW265.38 g/mol
LogP2.77
Rot. Bonds1

About (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide

(3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide (PubChem CID 10706827) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide
PubChem CID10706827
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide
SMILESC[C@@]1(C2CCCCC2)NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H19NO2S/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)18(16,17)15-14/h5-6,9-11,15H,2-4,7-8H2,1H3/t14-/m0/s1
InChIKeyADZDJLBNKQLLKI-AWEZNQCLSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxyamino)-1,1-dioxo-2H-1,2-benzothiazol-3-ol
CID 131842760
spiro[1,3-dioxane-2,4'-2,3-dihydro-1lambda6,2-benzothiazine] 1',1'-dioxide
CID 15427821
(3R)-3-(3,5-dimethylphenyl)-3-phenyl-2H-1,2-benzothiazole 1,1-dioxide
CID 177415708
[(1'S,3R,10'R)-1,1-dioxospiro[2H-1,2-benzothiazole-3,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-yl] trifluoromethanesulfonate
CID 58806498
(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 6927018
(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
CID 171404171
spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide
CID 10660804
4-cyclohexyl-4-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridine
CID 165478766
N-cyclooctyl-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135935028
(3R,10'S)-5'-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]spiro[2H-1,2-benzothiazole-3,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
CID 71049076
[(3S)-1,1-dioxo-3-prop-2-enyl-2H-1,2-benzothiazol-3-yl]methanol
CID 134961236
3-cyclohexyl-3-phenyl-2H-isoindol-1-one
CID 134952980

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide (CID 10706827) is (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide is C[C@@]1(C2CCCCC2)NS(=O)(=O)c2ccccc21.
What is the InChIKey of (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is ADZDJLBNKQLLKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)18(16,17)15-14/h5-6,9-11,15H,2-4,7-8H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide?
(3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 265.38 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-3-methyl-2H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 10706827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).