4-(5-ethylsulfonylthiophen-2-yl)pyridine

C11H11NO2S2 — CID 131909402

IUPAC4-(5-ethylsulfonylthiophen-2-yl)pyridine
SMILESCCS(=O)(=O)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C11H11NO2S2/c1-2-16(13,14)11-4-3-10(15-11)9-5-7-12-8-6-9/h3-8H,2H2,1H3
InChIKeyPMIAAUHIFWIJDW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.60
Rot. Bonds3

About 4-(5-ethylsulfonylthiophen-2-yl)pyridine

4-(5-ethylsulfonylthiophen-2-yl)pyridine (PubChem CID 131909402) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(5-ethylsulfonylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name4-(5-ethylsulfonylthiophen-2-yl)pyridine
PubChem CID131909402
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name4-(5-ethylsulfonylthiophen-2-yl)pyridine
SMILESCCS(=O)(=O)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C11H11NO2S2/c1-2-16(13,14)11-4-3-10(15-11)9-5-7-12-8-6-9/h3-8H,2H2,1H3
InChIKeyPMIAAUHIFWIJDW-UHFFFAOYSA-N
XLogP2.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfonylthiophen-2-yl)pyridine?
The IUPAC name of 4-(5-ethylsulfonylthiophen-2-yl)pyridine (CID 131909402) is 4-(5-ethylsulfonylthiophen-2-yl)pyridine.
What is the SMILES notation for 4-(5-ethylsulfonylthiophen-2-yl)pyridine?
The canonical SMILES for 4-(5-ethylsulfonylthiophen-2-yl)pyridine is CCS(=O)(=O)c1ccc(-c2ccncc2)s1.
What is the InChIKey of 4-(5-ethylsulfonylthiophen-2-yl)pyridine?
The InChIKey is PMIAAUHIFWIJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-2-16(13,14)11-4-3-10(15-11)9-5-7-12-8-6-9/h3-8H,2H2,1H3.
What are the key properties of 4-(5-ethylsulfonylthiophen-2-yl)pyridine?
4-(5-ethylsulfonylthiophen-2-yl)pyridine has a molecular weight of 253.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfonylthiophen-2-yl)pyridine is sourced from PubChem (CID 131909402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).