2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid

C11H18O5S — CID 175183534

IUPAC2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid
SMILESCCC1CC1(C(=O)O)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H18O5S/c1-2-8-7-11(8,10(12)13)17(14,15)9-3-5-16-6-4-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyTVEKMJHJKVLELP-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.83
Rot. Bonds4

About 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid

2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid (PubChem CID 175183534) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid
PubChem CID175183534
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid
SMILESCCC1CC1(C(=O)O)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H18O5S/c1-2-8-7-11(8,10(12)13)17(14,15)9-3-5-16-6-4-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyTVEKMJHJKVLELP-UHFFFAOYSA-N
XLogP0.83
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-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 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid (CID 175183534) is 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid is CCC1CC1(C(=O)O)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid?
The InChIKey is TVEKMJHJKVLELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S/c1-2-8-7-11(8,10(12)13)17(14,15)9-3-5-16-6-4-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid?
2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(oxan-4-ylsulfonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 175183534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).