2-ethylsulfonylcyclopentan-1-one

C7H12O3S — CID 64643138

IUPAC2-ethylsulfonylcyclopentan-1-one
SMILESCCS(=O)(=O)C1CCCC1=O
InChIInChI=1S/C7H12O3S/c1-2-11(9,10)7-5-3-4-6(7)8/h7H,2-5H2,1H3
InChIKeyOOFGPUAHHZJEHI-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.54
Rot. Bonds2

About 2-ethylsulfonylcyclopentan-1-one

2-ethylsulfonylcyclopentan-1-one (PubChem CID 64643138) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-ethylsulfonylcyclopentan-1-one.

Molecular Properties

Compound Name2-ethylsulfonylcyclopentan-1-one
PubChem CID64643138
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name2-ethylsulfonylcyclopentan-1-one
SMILESCCS(=O)(=O)C1CCCC1=O
InChIInChI=1S/C7H12O3S/c1-2-11(9,10)7-5-3-4-6(7)8/h7H,2-5H2,1H3
InChIKeyOOFGPUAHHZJEHI-UHFFFAOYSA-N
XLogP0.54
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylcyclopentan-1-one?
The IUPAC name of 2-ethylsulfonylcyclopentan-1-one (CID 64643138) is 2-ethylsulfonylcyclopentan-1-one.
What is the SMILES notation for 2-ethylsulfonylcyclopentan-1-one?
The canonical SMILES for 2-ethylsulfonylcyclopentan-1-one is CCS(=O)(=O)C1CCCC1=O.
What is the InChIKey of 2-ethylsulfonylcyclopentan-1-one?
The InChIKey is OOFGPUAHHZJEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c1-2-11(9,10)7-5-3-4-6(7)8/h7H,2-5H2,1H3.
What are the key properties of 2-ethylsulfonylcyclopentan-1-one?
2-ethylsulfonylcyclopentan-1-one has a molecular weight of 176.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylcyclopentan-1-one is sourced from PubChem (CID 64643138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).