1-(ethylsulfonylmethoxy)propane

C6H14O3S — CID 54421128

IUPAC1-(ethylsulfonylmethoxy)propane
SMILESCCCOCS(=O)(=O)CC
InChIInChI=1S/C6H14O3S/c1-3-5-9-6-10(7,8)4-2/h3-6H2,1-2H3
InChIKeyWAWJUPQMTKBQAZ-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.81
Rot. Bonds5

About 1-(ethylsulfonylmethoxy)propane

1-(ethylsulfonylmethoxy)propane (PubChem CID 54421128) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-(ethylsulfonylmethoxy)propane.

Molecular Properties

Compound Name1-(ethylsulfonylmethoxy)propane
PubChem CID54421128
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name1-(ethylsulfonylmethoxy)propane
SMILESCCCOCS(=O)(=O)CC
InChIInChI=1S/C6H14O3S/c1-3-5-9-6-10(7,8)4-2/h3-6H2,1-2H3
InChIKeyWAWJUPQMTKBQAZ-UHFFFAOYSA-N
XLogP0.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(ethylsulfonylmethoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfonylmethoxy)propane?
The IUPAC name of 1-(ethylsulfonylmethoxy)propane (CID 54421128) is 1-(ethylsulfonylmethoxy)propane.
What is the SMILES notation for 1-(ethylsulfonylmethoxy)propane?
The canonical SMILES for 1-(ethylsulfonylmethoxy)propane is CCCOCS(=O)(=O)CC.
What is the InChIKey of 1-(ethylsulfonylmethoxy)propane?
The InChIKey is WAWJUPQMTKBQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-3-5-9-6-10(7,8)4-2/h3-6H2,1-2H3.
What are the key properties of 1-(ethylsulfonylmethoxy)propane?
1-(ethylsulfonylmethoxy)propane has a molecular weight of 166.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfonylmethoxy)propane is sourced from PubChem (CID 54421128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).