ethylsulfonylcyclopropane

C5H10O2S — CID 12063392

IUPACethylsulfonylcyclopropane
SMILESCCS(=O)(=O)C1CC1
InChIInChI=1S/C5H10O2S/c1-2-8(6,7)5-3-4-5/h5H,2-4H2,1H3
InChIKeyPAAQXPOPFODXCK-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.58
Rot. Bonds2

About ethylsulfonylcyclopropane

ethylsulfonylcyclopropane (PubChem CID 12063392) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is ethylsulfonylcyclopropane.

Molecular Properties

Compound Nameethylsulfonylcyclopropane
PubChem CID12063392
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Nameethylsulfonylcyclopropane
SMILESCCS(=O)(=O)C1CC1
InChIInChI=1S/C5H10O2S/c1-2-8(6,7)5-3-4-5/h5H,2-4H2,1H3
InChIKeyPAAQXPOPFODXCK-UHFFFAOYSA-N
XLogP0.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylsulfonylcyclopropane?
The IUPAC name of ethylsulfonylcyclopropane (CID 12063392) is ethylsulfonylcyclopropane.
What is the SMILES notation for ethylsulfonylcyclopropane?
The canonical SMILES for ethylsulfonylcyclopropane is CCS(=O)(=O)C1CC1.
What is the InChIKey of ethylsulfonylcyclopropane?
The InChIKey is PAAQXPOPFODXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-2-8(6,7)5-3-4-5/h5H,2-4H2,1H3.
What are the key properties of ethylsulfonylcyclopropane?
ethylsulfonylcyclopropane has a molecular weight of 134.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfonylcyclopropane is sourced from PubChem (CID 12063392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).