3-(ethenoxymethyl)thiane 1-oxide

C8H14O2S — CID 176604673

IUPAC3-(ethenoxymethyl)thiane 1-oxide
SMILESC=COCC1CCCS(=O)C1
InChIInChI=1S/C8H14O2S/c1-2-10-6-8-4-3-5-11(9)7-8/h2,8H,1,3-7H2
InChIKeyUYIHKBLCFAKOIB-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.31
Rot. Bonds3

About 3-(ethenoxymethyl)thiane 1-oxide

3-(ethenoxymethyl)thiane 1-oxide (PubChem CID 176604673) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-(ethenoxymethyl)thiane 1-oxide.

Molecular Properties

Compound Name3-(ethenoxymethyl)thiane 1-oxide
PubChem CID176604673
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name3-(ethenoxymethyl)thiane 1-oxide
SMILESC=COCC1CCCS(=O)C1
InChIInChI=1S/C8H14O2S/c1-2-10-6-8-4-3-5-11(9)7-8/h2,8H,1,3-7H2
InChIKeyUYIHKBLCFAKOIB-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(ethenoxymethyl)thiane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Methoxymethyl)thiane 1-oxide
CID 142607659
4-(Ethenoxymethyl)thiane 1-oxide
CID 176602942
3-(Ethenoxymethyl)thiane
CID 176602945
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
3-(Ethenoxymethyl)-3-ethylthiane 1-oxide
CID 176603530
3-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176603611
4-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603702
4-(2-Ethenoxyethyl)thiane 1,1-dioxide
CID 176603730
2-(Ethenoxymethyl)thiane 1-oxide
CID 176603837
2-(Ethenoxymethyl)-2-methylthiane 1-oxide
CID 176603949

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)thiane 1-oxide?
The IUPAC name of 3-(ethenoxymethyl)thiane 1-oxide (CID 176604673) is 3-(ethenoxymethyl)thiane 1-oxide.
What is the SMILES notation for 3-(ethenoxymethyl)thiane 1-oxide?
The canonical SMILES for 3-(ethenoxymethyl)thiane 1-oxide is C=COCC1CCCS(=O)C1.
What is the InChIKey of 3-(ethenoxymethyl)thiane 1-oxide?
The InChIKey is UYIHKBLCFAKOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-10-6-8-4-3-5-11(9)7-8/h2,8H,1,3-7H2.
What are the key properties of 3-(ethenoxymethyl)thiane 1-oxide?
3-(ethenoxymethyl)thiane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)thiane 1-oxide is sourced from PubChem (CID 176604673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).