2-ethylsulfonylcyclopropane-1-carboxylic acid

C6H10O4S — CID 102549962

IUPAC2-ethylsulfonylcyclopropane-1-carboxylic acid
SMILESCCS(=O)(=O)C1CC1C(=O)O
InChIInChI=1S/C6H10O4S/c1-2-11(9,10)5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyOQGLLKDHXFNAJA-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.11
Rot. Bonds3

About 2-ethylsulfonylcyclopropane-1-carboxylic acid

2-ethylsulfonylcyclopropane-1-carboxylic acid (PubChem CID 102549962) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-ethylsulfonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethylsulfonylcyclopropane-1-carboxylic acid
PubChem CID102549962
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name2-ethylsulfonylcyclopropane-1-carboxylic acid
SMILESCCS(=O)(=O)C1CC1C(=O)O
InChIInChI=1S/C6H10O4S/c1-2-11(9,10)5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyOQGLLKDHXFNAJA-UHFFFAOYSA-N
XLogP-0.11
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethylsulfonylcyclopropane-1-carboxylic acid (CID 102549962) is 2-ethylsulfonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethylsulfonylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethylsulfonylcyclopropane-1-carboxylic acid is CCS(=O)(=O)C1CC1C(=O)O.
What is the InChIKey of 2-ethylsulfonylcyclopropane-1-carboxylic acid?
The InChIKey is OQGLLKDHXFNAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c1-2-11(9,10)5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-ethylsulfonylcyclopropane-1-carboxylic acid?
2-ethylsulfonylcyclopropane-1-carboxylic acid has a molecular weight of 178.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 102549962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).