4-(methoxymethyl)-4-methylthiane 1,1-dioxide

C8H16O3S — CID 118656769

IUPAC4-(methoxymethyl)-4-methylthiane 1,1-dioxide
SMILESCOCC1(C)CCS(=O)(=O)CC1
InChIInChI=1S/C8H16O3S/c1-8(7-11-2)3-5-12(9,10)6-4-8/h3-7H2,1-2H3
InChIKeyOZVUTRVKHJKJHY-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.85
Rot. Bonds2

About 4-(methoxymethyl)-4-methylthiane 1,1-dioxide

4-(methoxymethyl)-4-methylthiane 1,1-dioxide (PubChem CID 118656769) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methylthiane 1,1-dioxide
PubChem CID118656769
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name4-(methoxymethyl)-4-methylthiane 1,1-dioxide
SMILESCOCC1(C)CCS(=O)(=O)CC1
InChIInChI=1S/C8H16O3S/c1-8(7-11-2)3-5-12(9,10)6-4-8/h3-7H2,1-2H3
InChIKeyOZVUTRVKHJKJHY-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 4-(methoxymethyl)-4-methylthiane 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 4-(methoxymethyl)-4-methylthiane 1,1-dioxide?
The IUPAC name of 4-(methoxymethyl)-4-methylthiane 1,1-dioxide (CID 118656769) is 4-(methoxymethyl)-4-methylthiane 1,1-dioxide.
What is the SMILES notation for 4-(methoxymethyl)-4-methylthiane 1,1-dioxide?
The canonical SMILES for 4-(methoxymethyl)-4-methylthiane 1,1-dioxide is COCC1(C)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(methoxymethyl)-4-methylthiane 1,1-dioxide?
The InChIKey is OZVUTRVKHJKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-8(7-11-2)3-5-12(9,10)6-4-8/h3-7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-4-methylthiane 1,1-dioxide?
4-(methoxymethyl)-4-methylthiane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methylthiane 1,1-dioxide is sourced from PubChem (CID 118656769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).