6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine

C9H11N3O4S — CID 134093894

IUPAC6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
SMILESCOc1cc2c(cc1OC)S(=O)(=O)N=C(N)N2
InChIInChI=1S/C9H11N3O4S/c1-15-6-3-5-8(4-7(6)16-2)17(13,14)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12)
InChIKeyIABQVXSVYUKAIA-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.13
Rot. Bonds2

About 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine

6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine (PubChem CID 134093894) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
PubChem CID134093894
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
SMILESCOc1cc2c(cc1OC)S(=O)(=O)N=C(N)N2
InChIInChI=1S/C9H11N3O4S/c1-15-6-3-5-8(4-7(6)16-2)17(13,14)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12)
InChIKeyIABQVXSVYUKAIA-UHFFFAOYSA-N
XLogP0.13
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine?
The IUPAC name of 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine (CID 134093894) is 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine.
What is the SMILES notation for 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine?
The canonical SMILES for 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine is COc1cc2c(cc1OC)S(=O)(=O)N=C(N)N2.
What is the InChIKey of 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine?
The InChIKey is IABQVXSVYUKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-15-6-3-5-8(4-7(6)16-2)17(13,14)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12).
What are the key properties of 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine?
6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine has a molecular weight of 257.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine is sourced from PubChem (CID 134093894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).