3-(1-ethenoxyethyl)thiolane 1,1-dioxide

C8H14O3S — CID 176603456

IUPAC3-(1-ethenoxyethyl)thiolane 1,1-dioxide
SMILESC=COC(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-3-11-7(2)8-4-5-12(9,10)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyPXFKYYAOEASVCK-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.97
Rot. Bonds3

About 3-(1-ethenoxyethyl)thiolane 1,1-dioxide

3-(1-ethenoxyethyl)thiolane 1,1-dioxide (PubChem CID 176603456) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-(1-ethenoxyethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(1-ethenoxyethyl)thiolane 1,1-dioxide
PubChem CID176603456
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name3-(1-ethenoxyethyl)thiolane 1,1-dioxide
SMILESC=COC(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-3-11-7(2)8-4-5-12(9,10)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyPXFKYYAOEASVCK-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-(2-Propan-2-yloxyethyl)thiolane 1,1-dioxide
CID 166007730
2-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176602943
4-(1-Ethenoxyethyl)thiane 1,1-dioxide
CID 176603056
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
4-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603313
3-(Ethenoxymethyl)thiolane 1,1-dioxide
CID 176603413
3-(Ethenoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176603416
3-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176603611
2-(Ethenoxymethyl)-2-methylthiolane 1,1-dioxide
CID 176603812
3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176604088
3-(2-Ethenoxyethyl)-3-methylthiolane 1,1-dioxide
CID 176604170
3-(1-Ethenoxyethyl)thiolane 1-oxide
CID 176604192

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenoxyethyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(1-ethenoxyethyl)thiolane 1,1-dioxide (CID 176603456) is 3-(1-ethenoxyethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(1-ethenoxyethyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(1-ethenoxyethyl)thiolane 1,1-dioxide is C=COC(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1-ethenoxyethyl)thiolane 1,1-dioxide?
The InChIKey is PXFKYYAOEASVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-3-11-7(2)8-4-5-12(9,10)6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-(1-ethenoxyethyl)thiolane 1,1-dioxide?
3-(1-ethenoxyethyl)thiolane 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-(1-ethenoxyethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 176603456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).