4-(2-methoxyethyl)thiane 1,1-dioxide

C8H16O3S — CID 118656786

IUPAC4-(2-methoxyethyl)thiane 1,1-dioxide
SMILESCOCCC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16O3S/c1-11-5-2-8-3-6-12(9,10)7-4-8/h8H,2-7H2,1H3
InChIKeyHTUDDKSTZFEEOQ-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.85
Rot. Bonds3

About 4-(2-methoxyethyl)thiane 1,1-dioxide

4-(2-methoxyethyl)thiane 1,1-dioxide (PubChem CID 118656786) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-(2-methoxyethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-methoxyethyl)thiane 1,1-dioxide
PubChem CID118656786
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name4-(2-methoxyethyl)thiane 1,1-dioxide
SMILESCOCCC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16O3S/c1-11-5-2-8-3-6-12(9,10)7-4-8/h8H,2-7H2,1H3
InChIKeyHTUDDKSTZFEEOQ-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)thiane 1,1-dioxide?
The IUPAC name of 4-(2-methoxyethyl)thiane 1,1-dioxide (CID 118656786) is 4-(2-methoxyethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(2-methoxyethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(2-methoxyethyl)thiane 1,1-dioxide is COCCC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-methoxyethyl)thiane 1,1-dioxide?
The InChIKey is HTUDDKSTZFEEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-11-5-2-8-3-6-12(9,10)7-4-8/h8H,2-7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)thiane 1,1-dioxide?
4-(2-methoxyethyl)thiane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)thiane 1,1-dioxide is sourced from PubChem (CID 118656786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).