3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide

C8H14O3S — CID 176605092

IUPAC3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
SMILESC/C=C/OCC1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-2-4-11-6-8-3-5-12(9,10)7-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyZJFBOAHVOOIFHW-DUXPYHPUSA-N
MW190.26 g/mol
LogP0.97
Rot. Bonds3

About 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide

3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide (PubChem CID 176605092) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
PubChem CID176605092
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
SMILESC/C=C/OCC1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O3S/c1-2-4-11-6-8-3-5-12(9,10)7-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyZJFBOAHVOOIFHW-DUXPYHPUSA-N
XLogP0.97
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 ≤ 50.97
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

3-Prop-1-enoxythiolane 1,1-dioxide
CID 57782399
3-[(Z)-prop-1-enoxy]thiolane 1,1-dioxide
CID 67733785
3-[(E)-prop-1-enoxy]thiolane 1,1-dioxide
CID 67733786
2-Prop-1-enoxythiolane 1,1-dioxide
CID 68960631
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603136
3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603249
3-(2-Methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603330
2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603350
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603361
3-(Ethenoxymethyl)thiolane 1,1-dioxide
CID 176603413
3-(Ethenoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176603416
3-[2-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603445

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide (CID 176605092) is 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide is C/C=C/OCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
The InChIKey is ZJFBOAHVOOIFHW-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14O3S/c1-2-4-11-6-8-3-5-12(9,10)7-8/h2,4,8H,3,5-7H2,1H3/b4-2+.
What are the key properties of 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide?
3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176605092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).