2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide

C11H20O3S — CID 176603372

IUPAC2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
SMILESC/C=C/OCC1(CC)CCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-3-8-14-10-11(4-2)7-5-6-9-15(11,12)13/h3,8H,4-7,9-10H2,1-2H3/b8-3+
InChIKeyZBVGOEPSEMORIS-FPYGCLRLSA-N
MW232.34 g/mol
LogP2.28
Rot. Bonds4

About 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide

2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide (PubChem CID 176603372) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
PubChem CID176603372
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
SMILESC/C=C/OCC1(CC)CCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-3-8-14-10-11(4-2)7-5-6-9-15(11,12)13/h3,8H,4-7,9-10H2,1-2H3/b8-3+
InChIKeyZBVGOEPSEMORIS-FPYGCLRLSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.28
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-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide?
The IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide (CID 176603372) is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide?
The canonical SMILES for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide is C/C=C/OCC1(CC)CCCCS1(=O)=O.
What is the InChIKey of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide?
The InChIKey is ZBVGOEPSEMORIS-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H20O3S/c1-3-8-14-10-11(4-2)7-5-6-9-15(11,12)13/h3,8H,4-7,9-10H2,1-2H3/b8-3+.
What are the key properties of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide?
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).