3-(1-ethenoxyethyl)thiane 1-oxide

C9H16O2S — CID 176603311

IUPAC3-(1-ethenoxyethyl)thiane 1-oxide
SMILESC=COC(C)C1CCCS(=O)C1
InChIInChI=1S/C9H16O2S/c1-3-11-8(2)9-5-4-6-12(10)7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBWYSKUNULYZYAV-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.69
Rot. Bonds3

About 3-(1-ethenoxyethyl)thiane 1-oxide

3-(1-ethenoxyethyl)thiane 1-oxide (PubChem CID 176603311) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-(1-ethenoxyethyl)thiane 1-oxide.

Molecular Properties

Compound Name3-(1-ethenoxyethyl)thiane 1-oxide
PubChem CID176603311
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name3-(1-ethenoxyethyl)thiane 1-oxide
SMILESC=COC(C)C1CCCS(=O)C1
InChIInChI=1S/C9H16O2S/c1-3-11-8(2)9-5-4-6-12(10)7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBWYSKUNULYZYAV-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-ethenoxyethyl)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

1-Methylidene-4-(3-propan-2-yloxypropyl)thiane 1-oxide
CID 58377365
4-Methoxy-2,2-dimethylthiane 1-oxide
CID 142607689
4-(2-Propan-2-yloxyethyl)thiane 1-oxide
CID 155301200
4-(Ethenoxymethyl)thiane 1-oxide
CID 176602942
4-(1-Ethenoxyethyl)thiane 1,1-dioxide
CID 176603056
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176603083
4-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603313
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
2-(Ethenoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603497
3-(Ethenoxymethyl)-3-ethylthiane 1-oxide
CID 176603530
2-(3-Ethenoxypropyl)-2-ethylthiane 1-oxide
CID 176603581

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenoxyethyl)thiane 1-oxide?
The IUPAC name of 3-(1-ethenoxyethyl)thiane 1-oxide (CID 176603311) is 3-(1-ethenoxyethyl)thiane 1-oxide.
What is the SMILES notation for 3-(1-ethenoxyethyl)thiane 1-oxide?
The canonical SMILES for 3-(1-ethenoxyethyl)thiane 1-oxide is C=COC(C)C1CCCS(=O)C1.
What is the InChIKey of 3-(1-ethenoxyethyl)thiane 1-oxide?
The InChIKey is BWYSKUNULYZYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-3-11-8(2)9-5-4-6-12(10)7-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 3-(1-ethenoxyethyl)thiane 1-oxide?
3-(1-ethenoxyethyl)thiane 1-oxide has a molecular weight of 188.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenoxyethyl)thiane 1-oxide is sourced from PubChem (CID 176603311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).