3-methyl-3-(methylsulfonylmethyl)oxetane

C6H12O3S — CID 130139648

IUPAC3-methyl-3-(methylsulfonylmethyl)oxetane
SMILESCC1(CS(C)(=O)=O)COC1
InChIInChI=1S/C6H12O3S/c1-6(3-9-4-6)5-10(2,7)8/h3-5H2,1-2H3
InChIKeyLJFZYGRYARJXMY-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.07
Rot. Bonds2

About 3-methyl-3-(methylsulfonylmethyl)oxetane

3-methyl-3-(methylsulfonylmethyl)oxetane (PubChem CID 130139648) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-methyl-3-(methylsulfonylmethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(methylsulfonylmethyl)oxetane
PubChem CID130139648
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-methyl-3-(methylsulfonylmethyl)oxetane
SMILESCC1(CS(C)(=O)=O)COC1
InChIInChI=1S/C6H12O3S/c1-6(3-9-4-6)5-10(2,7)8/h3-5H2,1-2H3
InChIKeyLJFZYGRYARJXMY-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-methyl-3-(methylsulfonylmethyl)oxetane?
The IUPAC name of 3-methyl-3-(methylsulfonylmethyl)oxetane (CID 130139648) is 3-methyl-3-(methylsulfonylmethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(methylsulfonylmethyl)oxetane?
The canonical SMILES for 3-methyl-3-(methylsulfonylmethyl)oxetane is CC1(CS(C)(=O)=O)COC1.
What is the InChIKey of 3-methyl-3-(methylsulfonylmethyl)oxetane?
The InChIKey is LJFZYGRYARJXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-6(3-9-4-6)5-10(2,7)8/h3-5H2,1-2H3.
What are the key properties of 3-methyl-3-(methylsulfonylmethyl)oxetane?
3-methyl-3-(methylsulfonylmethyl)oxetane 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-methyl-3-(methylsulfonylmethyl)oxetane is sourced from PubChem (CID 130139648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).