3-but-3-en-2-yloxythiolane 1,1-dioxide

C8H14O3S — CID 70631354

IUPAC3-but-3-en-2-yloxythiolane 1,1-dioxide
SMILESC=CC(C)OC1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-3-7(2)11-8-4-5-12(9,10)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyUCKIMVQUNMHINC-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.76
Rot. Bonds3

About 3-but-3-en-2-yloxythiolane 1,1-dioxide

3-but-3-en-2-yloxythiolane 1,1-dioxide (PubChem CID 70631354) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-but-3-en-2-yloxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3-but-3-en-2-yloxythiolane 1,1-dioxide
PubChem CID70631354
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name3-but-3-en-2-yloxythiolane 1,1-dioxide
SMILESC=CC(C)OC1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-3-7(2)11-8-4-5-12(9,10)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyUCKIMVQUNMHINC-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-but-3-en-2-yloxythiolane 1,1-dioxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yloxythiolane 1,1-dioxide?
The IUPAC name of 3-but-3-en-2-yloxythiolane 1,1-dioxide (CID 70631354) is 3-but-3-en-2-yloxythiolane 1,1-dioxide.
What is the SMILES notation for 3-but-3-en-2-yloxythiolane 1,1-dioxide?
The canonical SMILES for 3-but-3-en-2-yloxythiolane 1,1-dioxide is C=CC(C)OC1CCS(=O)(=O)C1.
What is the InChIKey of 3-but-3-en-2-yloxythiolane 1,1-dioxide?
The InChIKey is UCKIMVQUNMHINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-3-7(2)11-8-4-5-12(9,10)6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-but-3-en-2-yloxythiolane 1,1-dioxide?
3-but-3-en-2-yloxythiolane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yloxythiolane 1,1-dioxide is sourced from PubChem (CID 70631354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).