2-(ethenoxymethyl)thiolane 1,1-dioxide

C7H12O3S — CID 176604094

IUPAC2-(ethenoxymethyl)thiolane 1,1-dioxide
SMILESC=COCC1CCCS1(=O)=O
InChIInChI=1S/C7H12O3S/c1-2-10-6-7-4-3-5-11(7,8)9/h2,7H,1,3-6H2
InChIKeyOPCYVBOTSFQQOQ-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.72
Rot. Bonds3

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

2-(ethenoxymethyl)thiolane 1,1-dioxide (PubChem CID 176604094) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-(ethenoxymethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)thiolane 1,1-dioxide
PubChem CID176604094
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name2-(ethenoxymethyl)thiolane 1,1-dioxide
SMILESC=COCC1CCCS1(=O)=O
InChIInChI=1S/C7H12O3S/c1-2-10-6-7-4-3-5-11(7,8)9/h2,7H,1,3-6H2
InChIKeyOPCYVBOTSFQQOQ-UHFFFAOYSA-N
XLogP0.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.72
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

2-(Methoxymethyl)thiolane 1,1-dioxide
CID 155183715
2-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176602943
2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603350
3-(Ethenoxymethyl)thiolane 1,1-dioxide
CID 176603413
2-(3-Ethenoxypropyl)thiirane 1,1-dioxide
CID 176603438
2-(Ethenoxymethyl)-2-methylthiolane 1,1-dioxide
CID 176603812
2-(2-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176603874
2-(3-Ethenoxypropyl)thiolane 1,1-dioxide
CID 176604129
2-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176604357
2-(Ethenoxymethyl)thiolane 1-oxide
CID 176604367
3-(2-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176605147
2-(Ethenylsulfonylmethyl)oxolane
CID 106493737

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(ethenoxymethyl)thiolane 1,1-dioxide (CID 176604094) is 2-(ethenoxymethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(ethenoxymethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(ethenoxymethyl)thiolane 1,1-dioxide is C=COCC1CCCS1(=O)=O.
What is the InChIKey of 2-(ethenoxymethyl)thiolane 1,1-dioxide?
The InChIKey is OPCYVBOTSFQQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c1-2-10-6-7-4-3-5-11(7,8)9/h2,7H,1,3-6H2.
What are the key properties of 2-(ethenoxymethyl)thiolane 1,1-dioxide?
2-(ethenoxymethyl)thiolane 1,1-dioxide has a molecular weight of 176.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 176604094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).