2-(ethenoxymethyl)thiane 1,1-dioxide

C8H14O3S — CID 176605174

IUPAC2-(ethenoxymethyl)thiane 1,1-dioxide
SMILESC=COCC1CCCCS1(=O)=O
InChIInChI=1S/C8H14O3S/c1-2-11-7-8-5-3-4-6-12(8,9)10/h2,8H,1,3-7H2
InChIKeyGMDPUAJRIPQQGM-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.11
Rot. Bonds3

About 2-(ethenoxymethyl)thiane 1,1-dioxide

2-(ethenoxymethyl)thiane 1,1-dioxide (PubChem CID 176605174) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-(ethenoxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)thiane 1,1-dioxide
PubChem CID176605174
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-(ethenoxymethyl)thiane 1,1-dioxide
SMILESC=COCC1CCCCS1(=O)=O
InChIInChI=1S/C8H14O3S/c1-2-11-7-8-5-3-4-6-12(8,9)10/h2,8H,1,3-7H2
InChIKeyGMDPUAJRIPQQGM-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)thiane 1,1-dioxide?
The IUPAC name of 2-(ethenoxymethyl)thiane 1,1-dioxide (CID 176605174) is 2-(ethenoxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(ethenoxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 2-(ethenoxymethyl)thiane 1,1-dioxide is C=COCC1CCCCS1(=O)=O.
What is the InChIKey of 2-(ethenoxymethyl)thiane 1,1-dioxide?
The InChIKey is GMDPUAJRIPQQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-2-11-7-8-5-3-4-6-12(8,9)10/h2,8H,1,3-7H2.
What are the key properties of 2-(ethenoxymethyl)thiane 1,1-dioxide?
2-(ethenoxymethyl)thiane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 176605174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).