3-(ethenoxymethyl)thiane 1,1-dioxide

C8H14O3S — CID 176605108

IUPAC3-(ethenoxymethyl)thiane 1,1-dioxide
SMILESC=COCC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-2-11-6-8-4-3-5-12(9,10)7-8/h2,8H,1,3-7H2
InChIKeyZPEYCEAIQMZMJL-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.97
Rot. Bonds3

About 3-(ethenoxymethyl)thiane 1,1-dioxide

3-(ethenoxymethyl)thiane 1,1-dioxide (PubChem CID 176605108) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-(ethenoxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(ethenoxymethyl)thiane 1,1-dioxide
PubChem CID176605108
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name3-(ethenoxymethyl)thiane 1,1-dioxide
SMILESC=COCC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-2-11-6-8-4-3-5-12(9,10)7-8/h2,8H,1,3-7H2
InChIKeyZPEYCEAIQMZMJL-UHFFFAOYSA-N
XLogP0.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(Methoxymethyl)thiane 1,1-dioxide
CID 153716657
4-(Ethenoxymethyl)thiane 1-oxide
CID 176602942
3-(Ethenoxymethyl)thiane
CID 176602945
4-(1-Ethenoxyethyl)thiane 1,1-dioxide
CID 176603056
3-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603407
2-(Ethenoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603497
4-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603702
4-(2-Ethenoxyethyl)thiane 1,1-dioxide
CID 176603730
2-(Ethenoxymethyl)-2-methylthiolane 1,1-dioxide
CID 176603812
3-(Ethenoxymethyl)-3-ethylthiane 1,1-dioxide
CID 176603876
3-(3-Ethenoxypropyl)thietane 1,1-dioxide
CID 176603882
2-(Ethenoxymethyl)-2-methylthiane 1-oxide
CID 176603949

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)thiane 1,1-dioxide?
The IUPAC name of 3-(ethenoxymethyl)thiane 1,1-dioxide (CID 176605108) is 3-(ethenoxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(ethenoxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 3-(ethenoxymethyl)thiane 1,1-dioxide is C=COCC1CCCS(=O)(=O)C1.
What is the InChIKey of 3-(ethenoxymethyl)thiane 1,1-dioxide?
The InChIKey is ZPEYCEAIQMZMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-2-11-6-8-4-3-5-12(9,10)7-8/h2,8H,1,3-7H2.
What are the key properties of 3-(ethenoxymethyl)thiane 1,1-dioxide?
3-(ethenoxymethyl)thiane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 176605108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).