4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid

C11H20O5S — CID 65097736

IUPAC4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid
SMILESCCS(=O)(=O)CCCC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H20O5S/c1-2-17(14,15)9-3-4-11(10(12)13)5-7-16-8-6-11/h2-9H2,1H3,(H,12,13)
InChIKeyVIEXXHIOWNXLIS-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.08
Rot. Bonds6

About 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid

4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid (PubChem CID 65097736) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid
PubChem CID65097736
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid
SMILESCCS(=O)(=O)CCCC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H20O5S/c1-2-17(14,15)9-3-4-11(10(12)13)5-7-16-8-6-11/h2-9H2,1H3,(H,12,13)
InChIKeyVIEXXHIOWNXLIS-UHFFFAOYSA-N
XLogP1.08
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid 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 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid?
The IUPAC name of 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid (CID 65097736) is 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid is CCS(=O)(=O)CCCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid?
The InChIKey is VIEXXHIOWNXLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-2-17(14,15)9-3-4-11(10(12)13)5-7-16-8-6-11/h2-9H2,1H3,(H,12,13).
What are the key properties of 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid?
4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid has a molecular weight of 264.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylpropyl)oxane-4-carboxylic acid is sourced from PubChem (CID 65097736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).