2-tert-butyl-5-ethylsulfonylpyridine

C11H17NO2S — CID 146657361

IUPAC2-tert-butyl-5-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C11H17NO2S/c1-5-15(13,14)9-6-7-10(12-8-9)11(2,3)4/h6-8H,5H2,1-4H3
InChIKeyZPUWQFUXGIERLH-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.17
Rot. Bonds2

About 2-tert-butyl-5-ethylsulfonylpyridine

2-tert-butyl-5-ethylsulfonylpyridine (PubChem CID 146657361) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-tert-butyl-5-ethylsulfonylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-ethylsulfonylpyridine
PubChem CID146657361
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-tert-butyl-5-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C11H17NO2S/c1-5-15(13,14)9-6-7-10(12-8-9)11(2,3)4/h6-8H,5H2,1-4H3
InChIKeyZPUWQFUXGIERLH-UHFFFAOYSA-N
XLogP2.17
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethylsulfonylpyridine?
The IUPAC name of 2-tert-butyl-5-ethylsulfonylpyridine (CID 146657361) is 2-tert-butyl-5-ethylsulfonylpyridine.
What is the SMILES notation for 2-tert-butyl-5-ethylsulfonylpyridine?
The canonical SMILES for 2-tert-butyl-5-ethylsulfonylpyridine is CCS(=O)(=O)c1ccc(C(C)(C)C)nc1.
What is the InChIKey of 2-tert-butyl-5-ethylsulfonylpyridine?
The InChIKey is ZPUWQFUXGIERLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-5-15(13,14)9-6-7-10(12-8-9)11(2,3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-5-ethylsulfonylpyridine?
2-tert-butyl-5-ethylsulfonylpyridine has a molecular weight of 227.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethylsulfonylpyridine is sourced from PubChem (CID 146657361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).