6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

C9H10N2O3S — CID 15230629

IUPAC6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESCc1cc(C)c2c(c1)NC(=O)NS2(=O)=O
InChIInChI=1S/C9H10N2O3S/c1-5-3-6(2)8-7(4-5)10-9(12)11-15(8,13)14/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyRCGNXQUBSZXYBL-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.13
Rot. Bonds

About 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (PubChem CID 15230629) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
PubChem CID15230629
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESCc1cc(C)c2c(c1)NC(=O)NS2(=O)=O
InChIInChI=1S/C9H10N2O3S/c1-5-3-6(2)8-7(4-5)10-9(12)11-15(8,13)14/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyRCGNXQUBSZXYBL-UHFFFAOYSA-N
XLogP1.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one with MolForge

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Related Compounds

5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
CID 82080973
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-methyl-, 1,1-dioxide
CID 10081897
5-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 12528487
5,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 10059582
[(3-methylphenyl)amino]-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 4601601
N-[(3,5-dimethylphenyl)carbamoyl]-4-methylbenzenesulfonamide
CID 821012
6-(aminomethyl)-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 12921368
8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 12921370
6-[(dimethylamino)methyl]-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 12921371
4,6-Dimethyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 145976409
2-(2,3-dimethylphenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 7245956
2-(4-ethylphenyl)-2H-1,2,4-benzothiadiazin-3-ol 1,1-dioxide
CID 7245953

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The IUPAC name of 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CID 15230629) is 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is Cc1cc(C)c2c(c1)NC(=O)NS2(=O)=O.
What is the InChIKey of 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The InChIKey is RCGNXQUBSZXYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5-3-6(2)8-7(4-5)10-9(12)11-15(8,13)14/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one has a molecular weight of 226.26 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 15230629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).