2-methylsulfonyloxetane

C4H8O3S — CID 91442445

IUPAC2-methylsulfonyloxetane
SMILESCS(=O)(=O)C1CCO1
InChIInChI=1S/C4H8O3S/c1-8(5,6)4-2-3-7-4/h4H,2-3H2,1H3
InChIKeyNALATCASIXJWSU-UHFFFAOYSA-N
MW136.17 g/mol
LogP-0.22
Rot. Bonds1

About 2-methylsulfonyloxetane

2-methylsulfonyloxetane (PubChem CID 91442445) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 2-methylsulfonyloxetane.

Molecular Properties

Compound Name2-methylsulfonyloxetane
PubChem CID91442445
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name2-methylsulfonyloxetane
SMILESCS(=O)(=O)C1CCO1
InChIInChI=1S/C4H8O3S/c1-8(5,6)4-2-3-7-4/h4H,2-3H2,1H3
InChIKeyNALATCASIXJWSU-UHFFFAOYSA-N
XLogP-0.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyloxetane?
The IUPAC name of 2-methylsulfonyloxetane (CID 91442445) is 2-methylsulfonyloxetane.
What is the SMILES notation for 2-methylsulfonyloxetane?
The canonical SMILES for 2-methylsulfonyloxetane is CS(=O)(=O)C1CCO1.
What is the InChIKey of 2-methylsulfonyloxetane?
The InChIKey is NALATCASIXJWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c1-8(5,6)4-2-3-7-4/h4H,2-3H2,1H3.
What are the key properties of 2-methylsulfonyloxetane?
2-methylsulfonyloxetane has a molecular weight of 136.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyloxetane is sourced from PubChem (CID 91442445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).