2-(2-ethylsulfonylethoxy)propane

C7H16O3S — CID 58326716

IUPAC2-(2-ethylsulfonylethoxy)propane
SMILESCCS(=O)(=O)CCOC(C)C
InChIInChI=1S/C7H16O3S/c1-4-11(8,9)6-5-10-7(2)3/h7H,4-6H2,1-3H3
InChIKeyIANLRNBKPXYZMB-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.85
Rot. Bonds5

About 2-(2-ethylsulfonylethoxy)propane

2-(2-ethylsulfonylethoxy)propane (PubChem CID 58326716) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethoxy)propane.

Molecular Properties

Compound Name2-(2-ethylsulfonylethoxy)propane
PubChem CID58326716
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name2-(2-ethylsulfonylethoxy)propane
SMILESCCS(=O)(=O)CCOC(C)C
InChIInChI=1S/C7H16O3S/c1-4-11(8,9)6-5-10-7(2)3/h7H,4-6H2,1-3H3
InChIKeyIANLRNBKPXYZMB-UHFFFAOYSA-N
XLogP0.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethoxy)propane?
The IUPAC name of 2-(2-ethylsulfonylethoxy)propane (CID 58326716) is 2-(2-ethylsulfonylethoxy)propane.
What is the SMILES notation for 2-(2-ethylsulfonylethoxy)propane?
The canonical SMILES for 2-(2-ethylsulfonylethoxy)propane is CCS(=O)(=O)CCOC(C)C.
What is the InChIKey of 2-(2-ethylsulfonylethoxy)propane?
The InChIKey is IANLRNBKPXYZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-4-11(8,9)6-5-10-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(2-ethylsulfonylethoxy)propane?
2-(2-ethylsulfonylethoxy)propane has a molecular weight of 180.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethoxy)propane is sourced from PubChem (CID 58326716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).