4-(methylsulfinylmethyl)oxane

C7H14O2S — CID 89224825

IUPAC4-(methylsulfinylmethyl)oxane
SMILESCS(=O)CC1CCOCC1
InChIInChI=1S/C7H14O2S/c1-10(8)6-7-2-4-9-5-3-7/h7H,2-6H2,1H3
InChIKeyWNGSYROMNIIGCV-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.79
Rot. Bonds2

About 4-(methylsulfinylmethyl)oxane

4-(methylsulfinylmethyl)oxane (PubChem CID 89224825) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 4-(methylsulfinylmethyl)oxane.

Molecular Properties

Compound Name4-(methylsulfinylmethyl)oxane
PubChem CID89224825
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name4-(methylsulfinylmethyl)oxane
SMILESCS(=O)CC1CCOCC1
InChIInChI=1S/C7H14O2S/c1-10(8)6-7-2-4-9-5-3-7/h7H,2-6H2,1H3
InChIKeyWNGSYROMNIIGCV-UHFFFAOYSA-N
XLogP0.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfinylmethyl)oxane?
The IUPAC name of 4-(methylsulfinylmethyl)oxane (CID 89224825) is 4-(methylsulfinylmethyl)oxane.
What is the SMILES notation for 4-(methylsulfinylmethyl)oxane?
The canonical SMILES for 4-(methylsulfinylmethyl)oxane is CS(=O)CC1CCOCC1.
What is the InChIKey of 4-(methylsulfinylmethyl)oxane?
The InChIKey is WNGSYROMNIIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-10(8)6-7-2-4-9-5-3-7/h7H,2-6H2,1H3.
What are the key properties of 4-(methylsulfinylmethyl)oxane?
4-(methylsulfinylmethyl)oxane has a molecular weight of 162.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfinylmethyl)oxane is sourced from PubChem (CID 89224825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).