9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide

C14H13NO3S — CID 775733

IUPAC9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCOc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C14H13NO3S/c1-15-13-8-7-10(18-2)9-12(13)11-5-3-4-6-14(11)19(15,16)17/h3-9H,1-2H3
InChIKeyGKLWAXSCOVOGHR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.50
Rot. Bonds1

About 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide

9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 775733) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID775733
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCOc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C14H13NO3S/c1-15-13-8-7-10(18-2)9-12(13)11-5-3-4-6-14(11)19(15,16)17/h3-9H,1-2H3
InChIKeyGKLWAXSCOVOGHR-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
6-Ethoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 1069778
1-(Phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10026806
[2-(1-Benzenesulfonyl-5-methoxy-2,3-dihydro-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 10269916
1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 18125907
8-Methoxy-4,4-dimethyl-5-(4-methylphenyl)sulfonyldithiolo[3,4-c]quinoline-1-thione
CID 1963578
1-(9-Methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone
CID 2314340
1-(2-Methoxy-4,5-dimethyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 2932316
1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
CID 802840
6-Ethoxy-1-(4-fluoro-benzenesulfonyl)-2,2,4-trimethyl-1,2-dihydro-quinoline
CID 1118707

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide (CID 775733) is 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide is COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is GKLWAXSCOVOGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-15-13-8-7-10(18-2)9-12(13)11-5-3-4-6-14(11)19(15,16)17/h3-9H,1-2H3.
What are the key properties of 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 275.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 775733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).