2,2-dimethyl-3-methylsulfonyloxirane

C5H10O3S — CID 102567545

IUPAC2,2-dimethyl-3-methylsulfonyloxirane
SMILESCC1(C)OC1S(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-5(2)4(8-5)9(3,6)7/h4H,1-3H3
InChIKeyNUABOKLYEKSLDL-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.17
Rot. Bonds1

About 2,2-dimethyl-3-methylsulfonyloxirane

2,2-dimethyl-3-methylsulfonyloxirane (PubChem CID 102567545) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylsulfonyloxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-methylsulfonyloxirane
PubChem CID102567545
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2,2-dimethyl-3-methylsulfonyloxirane
SMILESCC1(C)OC1S(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-5(2)4(8-5)9(3,6)7/h4H,1-3H3
InChIKeyNUABOKLYEKSLDL-UHFFFAOYSA-N
XLogP0.17
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylsulfonyloxirane?
The IUPAC name of 2,2-dimethyl-3-methylsulfonyloxirane (CID 102567545) is 2,2-dimethyl-3-methylsulfonyloxirane.
What is the SMILES notation for 2,2-dimethyl-3-methylsulfonyloxirane?
The canonical SMILES for 2,2-dimethyl-3-methylsulfonyloxirane is CC1(C)OC1S(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3-methylsulfonyloxirane?
The InChIKey is NUABOKLYEKSLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5(2)4(8-5)9(3,6)7/h4H,1-3H3.
What are the key properties of 2,2-dimethyl-3-methylsulfonyloxirane?
2,2-dimethyl-3-methylsulfonyloxirane has a molecular weight of 150.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylsulfonyloxirane is sourced from PubChem (CID 102567545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).