4-methoxy-2,2-dimethylthiane 1-oxide

C8H16O2S — CID 142607689

IUPAC4-methoxy-2,2-dimethylthiane 1-oxide
SMILESCOC1CCS(=O)C(C)(C)C1
InChIInChI=1S/C8H16O2S/c1-8(2)6-7(10-3)4-5-11(8)9/h7H,4-6H2,1-3H3
InChIKeyCYWYFGIFBHJBBS-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.32
Rot. Bonds1

About 4-methoxy-2,2-dimethylthiane 1-oxide

4-methoxy-2,2-dimethylthiane 1-oxide (PubChem CID 142607689) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethylthiane 1-oxide.

Molecular Properties

Compound Name4-methoxy-2,2-dimethylthiane 1-oxide
PubChem CID142607689
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name4-methoxy-2,2-dimethylthiane 1-oxide
SMILESCOC1CCS(=O)C(C)(C)C1
InChIInChI=1S/C8H16O2S/c1-8(2)6-7(10-3)4-5-11(8)9/h7H,4-6H2,1-3H3
InChIKeyCYWYFGIFBHJBBS-UHFFFAOYSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-2,2-dimethylthiane 1-oxide 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-methoxy-2,2-dimethylthiane 1-oxide?
The IUPAC name of 4-methoxy-2,2-dimethylthiane 1-oxide (CID 142607689) is 4-methoxy-2,2-dimethylthiane 1-oxide.
What is the SMILES notation for 4-methoxy-2,2-dimethylthiane 1-oxide?
The canonical SMILES for 4-methoxy-2,2-dimethylthiane 1-oxide is COC1CCS(=O)C(C)(C)C1.
What is the InChIKey of 4-methoxy-2,2-dimethylthiane 1-oxide?
The InChIKey is CYWYFGIFBHJBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-8(2)6-7(10-3)4-5-11(8)9/h7H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-2,2-dimethylthiane 1-oxide?
4-methoxy-2,2-dimethylthiane 1-oxide has a molecular weight of 176.28 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethylthiane 1-oxide is sourced from PubChem (CID 142607689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).