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

C7H7N3O2S — CID 70590813

IUPAC1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine
SMILESNC1N=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C7H7N3O2S/c8-7-5-3-1-2-4-6(5)13(11,12)10-9-7/h1-4,7H,8H2
InChIKeyVTMWADDDTLSEMG-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.80
Rot. Bonds

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

1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine (PubChem CID 70590813) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine.

Molecular Properties

Compound Name1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine
PubChem CID70590813
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine
SMILESNC1N=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C7H7N3O2S/c8-7-5-3-1-2-4-6(5)13(11,12)10-9-7/h1-4,7H,8H2
InChIKeyVTMWADDDTLSEMG-UHFFFAOYSA-N
XLogP0.80
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine?
The IUPAC name of 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine (CID 70590813) is 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine.
What is the SMILES notation for 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine?
The canonical SMILES for 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine is NC1N=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine?
The InChIKey is VTMWADDDTLSEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c8-7-5-3-1-2-4-6(5)13(11,12)10-9-7/h1-4,7H,8H2.
What are the key properties of 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine?
1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine has a molecular weight of 197.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4H-1λ6,2,3-benzothiadiazin-4-amine is sourced from PubChem (CID 70590813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).