6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine

C8H9N3O2S — CID 130008785

IUPAC6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
SMILESCc1ccc2c(c1)NC(N)=NS2(=O)=O
InChIInChI=1S/C8H9N3O2S/c1-5-2-3-7-6(4-5)10-8(9)11-14(7,12)13/h2-4H,1H3,(H3,9,10,11)
InChIKeyYYQXABQKKAUJBR-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.42
Rot. Bonds

About 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine

6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine (PubChem CID 130008785) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine.

Molecular Properties

Compound Name6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
PubChem CID130008785
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
SMILESCc1ccc2c(c1)NC(N)=NS2(=O)=O
InChIInChI=1S/C8H9N3O2S/c1-5-2-3-7-6(4-5)10-8(9)11-14(7,12)13/h2-4H,1H3,(H3,9,10,11)
InChIKeyYYQXABQKKAUJBR-UHFFFAOYSA-N
XLogP0.42
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
CID 134093894
5-[(1S)-1-(2,4-dimethylphenyl)ethyl]-6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
CID 176973656
3-chloro-7-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 82081960
N-(2,5-dimethylphenyl)-2-[(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 22588831
N-(3-chloro-4-methylphenyl)-2-[(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18591535
1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine
CID 3054010
2-[(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 18591546
3-[4-(4-methylphenyl)sulfanylphenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 132590889
3-(2,2-dimethoxyethylsulfanyl)-7-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 94948865
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propan-1-one
CID 46279823
7-methyl-1,1-dioxospiro[2,5-dihydro-1λ6,5-benzothiazepine-3,1'-cyclobutane]-4-one
CID 115099344
6-chloro-3-pentan-3-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 142640097

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine?
The IUPAC name of 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine (CID 130008785) is 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine.
What is the SMILES notation for 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine?
The canonical SMILES for 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine is Cc1ccc2c(c1)NC(N)=NS2(=O)=O.
What is the InChIKey of 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine?
The InChIKey is YYQXABQKKAUJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-5-2-3-7-6(4-5)10-8(9)11-14(7,12)13/h2-4H,1H3,(H3,9,10,11).
What are the key properties of 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine?
6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine has a molecular weight of 211.25 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine is sourced from PubChem (CID 130008785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).