3-(methylsulfonylmethyl)oxolane

C6H12O3S — CID 126717824

IUPAC3-(methylsulfonylmethyl)oxolane
SMILESCS(=O)(=O)CC1CCOC1
InChIInChI=1S/C6H12O3S/c1-10(7,8)5-6-2-3-9-4-6/h6H,2-5H2,1H3
InChIKeyOSPLPCCHKSKEDI-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.07
Rot. Bonds2

About 3-(methylsulfonylmethyl)oxolane

3-(methylsulfonylmethyl)oxolane (PubChem CID 126717824) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)oxolane
PubChem CID126717824
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-(methylsulfonylmethyl)oxolane
SMILESCS(=O)(=O)CC1CCOC1
InChIInChI=1S/C6H12O3S/c1-10(7,8)5-6-2-3-9-4-6/h6H,2-5H2,1H3
InChIKeyOSPLPCCHKSKEDI-UHFFFAOYSA-N
XLogP0.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)oxolane?
The IUPAC name of 3-(methylsulfonylmethyl)oxolane (CID 126717824) is 3-(methylsulfonylmethyl)oxolane.
What is the SMILES notation for 3-(methylsulfonylmethyl)oxolane?
The canonical SMILES for 3-(methylsulfonylmethyl)oxolane is CS(=O)(=O)CC1CCOC1.
What is the InChIKey of 3-(methylsulfonylmethyl)oxolane?
The InChIKey is OSPLPCCHKSKEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10(7,8)5-6-2-3-9-4-6/h6H,2-5H2,1H3.
What are the key properties of 3-(methylsulfonylmethyl)oxolane?
3-(methylsulfonylmethyl)oxolane has a molecular weight of 164.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)oxolane is sourced from PubChem (CID 126717824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).