4-butyl-2-ethylsulfonylpyridine

C11H17NO2S — CID 173100976

IUPAC4-butyl-2-ethylsulfonylpyridine
SMILESCCCCc1ccnc(S(=O)(=O)CC)c1
InChIInChI=1S/C11H17NO2S/c1-3-5-6-10-7-8-12-11(9-10)15(13,14)4-2/h7-9H,3-6H2,1-2H3
InChIKeyHWYFEDBBZRDEQS-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.22
Rot. Bonds5

About 4-butyl-2-ethylsulfonylpyridine

4-butyl-2-ethylsulfonylpyridine (PubChem CID 173100976) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-butyl-2-ethylsulfonylpyridine.

Molecular Properties

Compound Name4-butyl-2-ethylsulfonylpyridine
PubChem CID173100976
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-butyl-2-ethylsulfonylpyridine
SMILESCCCCc1ccnc(S(=O)(=O)CC)c1
InChIInChI=1S/C11H17NO2S/c1-3-5-6-10-7-8-12-11(9-10)15(13,14)4-2/h7-9H,3-6H2,1-2H3
InChIKeyHWYFEDBBZRDEQS-UHFFFAOYSA-N
XLogP2.22
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-2-methylsulfonylpyridine
CID 148809868
(4-pentyl-2-pyridinyl)sulfonylformamide
CID 173090065
4-butyl-2-methylpyridine;hydrobromide
CID 173184435
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
4-butyl-N-ethyl-N-methylpyridin-2-amine
CID 142596545
4-(3-propylsulfonylpropyl)pyridin-2-amine
CID 106731731
2-chloro-4-hexadecylpyridine
CID 170566187

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-ethylsulfonylpyridine?
The IUPAC name of 4-butyl-2-ethylsulfonylpyridine (CID 173100976) is 4-butyl-2-ethylsulfonylpyridine.
What is the SMILES notation for 4-butyl-2-ethylsulfonylpyridine?
The canonical SMILES for 4-butyl-2-ethylsulfonylpyridine is CCCCc1ccnc(S(=O)(=O)CC)c1.
What is the InChIKey of 4-butyl-2-ethylsulfonylpyridine?
The InChIKey is HWYFEDBBZRDEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-5-6-10-7-8-12-11(9-10)15(13,14)4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-butyl-2-ethylsulfonylpyridine?
4-butyl-2-ethylsulfonylpyridine has a molecular weight of 227.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-ethylsulfonylpyridine is sourced from PubChem (CID 173100976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).