6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid

C9H10N2O4S — CID 16654597

IUPAC6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
SMILESCc1ccc2c(c1)NC(C(=O)O)NS2(=O)=O
InChIInChI=1S/C9H10N2O4S/c1-5-2-3-7-6(4-5)10-8(9(12)13)11-16(7,14)15/h2-4,8,10-11H,1H3,(H,12,13)
InChIKeyYTQJQBDGNSMGPW-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.11
Rot. Bonds1

About 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid

6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid (PubChem CID 16654597) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
PubChem CID16654597
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
SMILESCc1ccc2c(c1)NC(C(=O)O)NS2(=O)=O
InChIInChI=1S/C9H10N2O4S/c1-5-2-3-7-6(4-5)10-8(9(12)13)11-16(7,14)15/h2-4,8,10-11H,1H3,(H,12,13)
InChIKeyYTQJQBDGNSMGPW-UHFFFAOYSA-N
XLogP0.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid 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

2-[2-[(3-nitrophenyl)methyl]-1,1-dioxo-3H-1lambda6,2,4-benzothiadiazin-4-yl]acetic acid
CID 49851270
2-[1,1-dioxo-2-[(2,4,5-trifluorophenyl)methyl]-3H-1lambda6,2,4-benzothiadiazin-4-yl]acetic acid
CID 49851272
2-[7-fluoro-1,1-dioxo-2-[(2,4,5-trifluorophenyl)methyl]-3H-1lambda6,2,4-benzothiadiazin-4-yl]acetic acid
CID 49851378
1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylic acid
CID 15230296
2-[[3-[[Phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid
CID 171934700
2-[[3-[[Methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid
CID 171934701
4-Cyclopropyl-6-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 44608185
2H-1,2,4-Benzothiadiazine-3-carboxylic acid, 3,4-dihydro-7-sulfamoyl-6-(trifluoromethyl)-, 1,1-dioxide
CID 120662
methyl 1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylate
CID 47003111
6-(aminomethyl)-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 12921368
6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 12921371
methyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylate 1,1-dioxide
CID 16956521

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid?
The IUPAC name of 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid (CID 16654597) is 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid is Cc1ccc2c(c1)NC(C(=O)O)NS2(=O)=O.
What is the InChIKey of 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid?
The InChIKey is YTQJQBDGNSMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-5-2-3-7-6(4-5)10-8(9(12)13)11-16(7,14)15/h2-4,8,10-11H,1H3,(H,12,13).
What are the key properties of 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid?
6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid has a molecular weight of 242.26 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid is sourced from PubChem (CID 16654597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).