4-butyl-2-methylsulfonylpyridine

C10H15NO2S — CID 148809868

IUPAC4-butyl-2-methylsulfonylpyridine
SMILESCCCCc1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO2S/c1-3-4-5-9-6-7-11-10(8-9)14(2,12)13/h6-8H,3-5H2,1-2H3
InChIKeyOPRUVJVKEVOCDF-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.83
Rot. Bonds4

About 4-butyl-2-methylsulfonylpyridine

4-butyl-2-methylsulfonylpyridine (PubChem CID 148809868) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-butyl-2-methylsulfonylpyridine.

Molecular Properties

Compound Name4-butyl-2-methylsulfonylpyridine
PubChem CID148809868
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-butyl-2-methylsulfonylpyridine
SMILESCCCCc1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO2S/c1-3-4-5-9-6-7-11-10(8-9)14(2,12)13/h6-8H,3-5H2,1-2H3
InChIKeyOPRUVJVKEVOCDF-UHFFFAOYSA-N
XLogP1.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-2-ethylsulfonylpyridine
CID 173100976
(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
5-(4-butylphenoxy)-2-methylsulfonylpyridine
CID 163959552
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
N-ethyl-2-methylsulfonylpyridin-4-amine;hydrochloride
CID 67303345

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylsulfonylpyridine?
The IUPAC name of 4-butyl-2-methylsulfonylpyridine (CID 148809868) is 4-butyl-2-methylsulfonylpyridine.
What is the SMILES notation for 4-butyl-2-methylsulfonylpyridine?
The canonical SMILES for 4-butyl-2-methylsulfonylpyridine is CCCCc1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 4-butyl-2-methylsulfonylpyridine?
The InChIKey is OPRUVJVKEVOCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-4-5-9-6-7-11-10(8-9)14(2,12)13/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-butyl-2-methylsulfonylpyridine?
4-butyl-2-methylsulfonylpyridine has a molecular weight of 213.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylsulfonylpyridine is sourced from PubChem (CID 148809868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).