2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide

C13H17N3O3S — CID 8669477

IUPAC2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C13H17N3O3S/c1-3-15(4-2)13(17)9-16-10-14-20(18,19)12-8-6-5-7-11(12)16/h5-8,10H,3-4,9H2,1-2H3
InChIKeyIKFIMYCUNDXVCI-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.09
Rot. Bonds4

About 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide

2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide (PubChem CID 8669477) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide
PubChem CID8669477
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C13H17N3O3S/c1-3-15(4-2)13(17)9-16-10-14-20(18,19)12-8-6-5-7-11(12)16/h5-8,10H,3-4,9H2,1-2H3
InChIKeyIKFIMYCUNDXVCI-UHFFFAOYSA-N
XLogP1.09
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide (CID 8669477) is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1C=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide?
The InChIKey is IKFIMYCUNDXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-15(4-2)13(17)9-16-10-14-20(18,19)12-8-6-5-7-11(12)16/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide?
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide has a molecular weight of 295.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-N,N-diethylacetamide is sourced from PubChem (CID 8669477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).