2-(2-pyridin-2-ylethylsulfinyl)butanoic acid

C11H15NO3S — CID 105355671

IUPAC2-(2-pyridin-2-ylethylsulfinyl)butanoic acid
SMILESCCC(C(=O)O)S(=O)CCc1ccccn1
InChIInChI=1S/C11H15NO3S/c1-2-10(11(13)14)16(15)8-6-9-5-3-4-7-12-9/h3-5,7,10H,2,6,8H2,1H3,(H,13,14)
InChIKeyOPBONQJASDPZIL-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.24
Rot. Bonds6

About 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid

2-(2-pyridin-2-ylethylsulfinyl)butanoic acid (PubChem CID 105355671) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylsulfinyl)butanoic acid
PubChem CID105355671
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(2-pyridin-2-ylethylsulfinyl)butanoic acid
SMILESCCC(C(=O)O)S(=O)CCc1ccccn1
InChIInChI=1S/C11H15NO3S/c1-2-10(11(13)14)16(15)8-6-9-5-3-4-7-12-9/h3-5,7,10H,2,6,8H2,1H3,(H,13,14)
InChIKeyOPBONQJASDPZIL-UHFFFAOYSA-N
XLogP1.24
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-2-ylethylsulfinyl)butanoic acid
CID 66115725
2-[2-[(S)-methylsulfinyl]ethyl]pyridine
CID 97301952
2-(pyridin-2-ylmethylsulfinyl)propanoic acid
CID 60982235
2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid
CID 105355701
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
4-ethyl-1-pyridin-2-ylhexan-3-one
CID 105117455
2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine
CID 11980320
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
acetic acid;2-ethylpyridine
CID 70072313
2-ethylpyridine;sulfurous acid
CID 174743952
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid?
The IUPAC name of 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid (CID 105355671) is 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid.
What is the SMILES notation for 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid?
The canonical SMILES for 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid is CCC(C(=O)O)S(=O)CCc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid?
The InChIKey is OPBONQJASDPZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-10(11(13)14)16(15)8-6-9-5-3-4-7-12-9/h3-5,7,10H,2,6,8H2,1H3,(H,13,14).
What are the key properties of 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid?
2-(2-pyridin-2-ylethylsulfinyl)butanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylsulfinyl)butanoic acid is sourced from PubChem (CID 105355671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).