3-(ethoxymethyl)thiane 1,1-dioxide

C8H16O3S — CID 170255539

IUPAC3-(ethoxymethyl)thiane 1,1-dioxide
SMILESCCOCC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H16O3S/c1-2-11-6-8-4-3-5-12(9,10)7-8/h8H,2-7H2,1H3
InChIKeyWWCFULUXQAWSKZ-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.85
Rot. Bonds3

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

3-(ethoxymethyl)thiane 1,1-dioxide (PubChem CID 170255539) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(ethoxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(ethoxymethyl)thiane 1,1-dioxide
PubChem CID170255539
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-(ethoxymethyl)thiane 1,1-dioxide
SMILESCCOCC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H16O3S/c1-2-11-6-8-4-3-5-12(9,10)7-8/h8H,2-7H2,1H3
InChIKeyWWCFULUXQAWSKZ-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)thiane 1,1-dioxide?
The IUPAC name of 3-(ethoxymethyl)thiane 1,1-dioxide (CID 170255539) is 3-(ethoxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(ethoxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 3-(ethoxymethyl)thiane 1,1-dioxide is CCOCC1CCCS(=O)(=O)C1.
What is the InChIKey of 3-(ethoxymethyl)thiane 1,1-dioxide?
The InChIKey is WWCFULUXQAWSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-2-11-6-8-4-3-5-12(9,10)7-8/h8H,2-7H2,1H3.
What are the key properties of 3-(ethoxymethyl)thiane 1,1-dioxide?
3-(ethoxymethyl)thiane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 170255539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).