3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide

C12H17NO2S — CID 84629511

IUPAC3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc(C)c2c(c1)N(C)C(C)CS2(=O)=O
InChIInChI=1S/C12H17NO2S/c1-8-5-9(2)12-11(6-8)13(4)10(3)7-16(12,14)15/h5-6,10H,7H2,1-4H3
InChIKeyGNDXIIOLZIJZOB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.92
Rot. Bonds

About 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide

3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84629511) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84629511
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc(C)c2c(c1)N(C)C(C)CS2(=O)=O
InChIInChI=1S/C12H17NO2S/c1-8-5-9(2)12-11(6-8)13(4)10(3)7-16(12,14)15/h5-6,10H,7H2,1-4H3
InChIKeyGNDXIIOLZIJZOB-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide with MolForge

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Related Compounds

4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one
CID 82092284
2-(4,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84639504
3,5,7-trimethyl-3H-2,1λ6-benzoxathiole 1,1-dioxide
CID 142401402
3-(6,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)propanoic acid
CID 84643313
3-(3,7-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propanoic acid
CID 84643251
2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone
CID 84640784
4,6,8-trimethyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
CID 84619887
2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230891
(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
CID 170657864
1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623066
5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide
CID 71950265
5,7-dimethyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 70633008

Frequently Asked Questions

What is the IUPAC name of 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide (CID 84629511) is 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide is Cc1cc(C)c2c(c1)N(C)C(C)CS2(=O)=O.
What is the InChIKey of 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is GNDXIIOLZIJZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-5-9(2)12-11(6-8)13(4)10(3)7-16(12,14)15/h5-6,10H,7H2,1-4H3.
What are the key properties of 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 239.34 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,8-tetramethyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84629511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).