2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide

C11H15NO4S — CID 20758011

IUPAC2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1COc2cscc2O1
InChIInChI=1S/C11H15NO4S/c1-12(2)11(13)5-14-3-8-4-15-9-6-17-7-10(9)16-8/h6-8H,3-5H2,1-2H3
InChIKeyLEVPIRZKKRBOQI-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.99
Rot. Bonds4

About 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide (PubChem CID 20758011) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide
PubChem CID20758011
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1COc2cscc2O1
InChIInChI=1S/C11H15NO4S/c1-12(2)11(13)5-14-3-8-4-15-9-6-17-7-10(9)16-8/h6-8H,3-5H2,1-2H3
InChIKeyLEVPIRZKKRBOQI-UHFFFAOYSA-N
XLogP0.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide (CID 20758011) is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide is CN(C)C(=O)COCC1COc2cscc2O1.
What is the InChIKey of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide?
The InChIKey is LEVPIRZKKRBOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-12(2)11(13)5-14-3-8-4-15-9-6-17-7-10(9)16-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide?
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide has a molecular weight of 257.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 20758011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).