2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine

C17H17NO2S — CID 22917520

IUPAC2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccn3)CCC2)cc1
InChIInChI=1S/C17H17NO2S/c1-21(19,20)14-10-8-13(9-11-14)15-5-4-6-16(15)17-7-2-3-12-18-17/h2-3,7-12H,4-6H2,1H3
InChIKeyFOIIOXREMZAWOB-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.58
Rot. Bonds3

About 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine

2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine (PubChem CID 22917520) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
PubChem CID22917520
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccn3)CCC2)cc1
InChIInChI=1S/C17H17NO2S/c1-21(19,20)14-10-8-13(9-11-14)15-5-4-6-16(15)17-7-2-3-12-18-17/h2-3,7-12H,4-6H2,1H3
InChIKeyFOIIOXREMZAWOB-UHFFFAOYSA-N
XLogP3.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The IUPAC name of 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine (CID 22917520) is 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine.
What is the SMILES notation for 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The canonical SMILES for 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine is CS(=O)(=O)c1ccc(C2=C(c3ccccn3)CCC2)cc1.
What is the InChIKey of 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
The InChIKey is FOIIOXREMZAWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-21(19,20)14-10-8-13(9-11-14)15-5-4-6-16(15)17-7-2-3-12-18-17/h2-3,7-12H,4-6H2,1H3.
What are the key properties of 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine?
2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine has a molecular weight of 299.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine is sourced from PubChem (CID 22917520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).