5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

C8H8N2O3S — CID 12528487

IUPAC5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCc1cccc2c1NC(=O)NS2(=O)=O
InChIInChI=1S/C8H8N2O3S/c1-5-3-2-4-6-7(5)9-8(11)10-14(6,12)13/h2-4H,1H3,(H2,9,10,11)
InChIKeyRISXVHCQQZRPFT-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.82
Rot. Bonds

About 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 12528487) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID12528487
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCc1cccc2c1NC(=O)NS2(=O)=O
InChIInChI=1S/C8H8N2O3S/c1-5-3-2-4-6-7(5)9-8(11)10-14(6,12)13/h2-4H,1H3,(H2,9,10,11)
InChIKeyRISXVHCQQZRPFT-UHFFFAOYSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-1,2,4-benzothiadiazine-1,1,3-trione
CID 474578
4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 11615432
5-fluoro-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 82078731
5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
CID 82080973
3-Methyl-2-Oxo-N-Phenyl-1,2,3,4-Tetrahydroquinazoline-6-Sulfonamide
CID 71271969
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-methyl-, 1,1-dioxide
CID 10081897
9,9-Dioxo-9lambda6-thia-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
CID 14024589
6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 15230629
1,2,3,4-Tetrahydro-3-methyl-8-quinolinesulfonamide
CID 42959251
N-Ethyl-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazoline-6-Sulfonamide
CID 66553124
5,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 10059582
4,4-dioxo-1H-benzo[f][1,2,4]benzothiadiazin-2-one
CID 155537018

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 12528487) is 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is Cc1cccc2c1NC(=O)NS2(=O)=O.
What is the InChIKey of 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is RISXVHCQQZRPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-5-3-2-4-6-7(5)9-8(11)10-14(6,12)13/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 212.23 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 12528487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).