3-[(E)-but-2-enoxy]thiolane 1,1-dioxide

C8H14O3S — CID 6367344

IUPAC3-[(E)-but-2-enoxy]thiolane 1,1-dioxide
SMILESC/C=C/COC1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-2-3-5-11-8-4-6-12(9,10)7-8/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyWGALLOIQPHFXKY-NSCUHMNNSA-N
MW190.26 g/mol
LogP0.77
Rot. Bonds3

About 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide

3-[(E)-but-2-enoxy]thiolane 1,1-dioxide (PubChem CID 6367344) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(E)-but-2-enoxy]thiolane 1,1-dioxide
PubChem CID6367344
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name3-[(E)-but-2-enoxy]thiolane 1,1-dioxide
SMILESC/C=C/COC1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-2-3-5-11-8-4-6-12(9,10)7-8/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyWGALLOIQPHFXKY-NSCUHMNNSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide?
The IUPAC name of 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide (CID 6367344) is 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide is C/C=C/COC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide?
The InChIKey is WGALLOIQPHFXKY-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14O3S/c1-2-3-5-11-8-4-6-12(9,10)7-8/h2-3,8H,4-7H2,1H3/b3-2+.
What are the key properties of 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide?
3-[(E)-but-2-enoxy]thiolane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enoxy]thiolane 1,1-dioxide is sourced from PubChem (CID 6367344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).