2-(ethylsulfonylmethylidene)oxirane

C5H8O3S — CID 57016156

IUPAC2-(ethylsulfonylmethylidene)oxirane
SMILESCCS(=O)(=O)C=C1CO1
InChIInChI=1S/C5H8O3S/c1-2-9(6,7)4-5-3-8-5/h4H,2-3H2,1H3
InChIKeyDGQKMJUNCFNUIU-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.29
Rot. Bonds2

About 2-(ethylsulfonylmethylidene)oxirane

2-(ethylsulfonylmethylidene)oxirane (PubChem CID 57016156) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-(ethylsulfonylmethylidene)oxirane.

Molecular Properties

Compound Name2-(ethylsulfonylmethylidene)oxirane
PubChem CID57016156
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name2-(ethylsulfonylmethylidene)oxirane
SMILESCCS(=O)(=O)C=C1CO1
InChIInChI=1S/C5H8O3S/c1-2-9(6,7)4-5-3-8-5/h4H,2-3H2,1H3
InChIKeyDGQKMJUNCFNUIU-UHFFFAOYSA-N
XLogP0.29
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.29
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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Related Compounds

InChI=1/C5H8O3S/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H
CID 15939947
2-Ethoxy-3-methylsulfonylbut-1-ene
CID 123567053
2-(1-Ethenoxyethyl)thiirane 1,1-dioxide
CID 176603564
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1,1-dioxide
CID 176603568
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
CID 176603758
2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
CID 176604492
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane 1,1-dioxide
CID 176605153
2-(2-Methylprop-1-enoxymethyl)thiirane 1,1-dioxide
CID 176605462
3-propan-2-yloxy-2H-thiete 1,1-dioxide
CID 13168989

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethylidene)oxirane?
The IUPAC name of 2-(ethylsulfonylmethylidene)oxirane (CID 57016156) is 2-(ethylsulfonylmethylidene)oxirane.
What is the SMILES notation for 2-(ethylsulfonylmethylidene)oxirane?
The canonical SMILES for 2-(ethylsulfonylmethylidene)oxirane is CCS(=O)(=O)C=C1CO1.
What is the InChIKey of 2-(ethylsulfonylmethylidene)oxirane?
The InChIKey is DGQKMJUNCFNUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-2-9(6,7)4-5-3-8-5/h4H,2-3H2,1H3.
What are the key properties of 2-(ethylsulfonylmethylidene)oxirane?
2-(ethylsulfonylmethylidene)oxirane has a molecular weight of 148.18 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethylidene)oxirane is sourced from PubChem (CID 57016156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).