2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine

C17H17NO2S — CID 86068707

IUPAC2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine
SMILESO=S(=O)(CC1=CCCC1c1ccccc1)c1ccccn1
InChIInChI=1S/C17H17NO2S/c19-21(20,17-11-4-5-12-18-17)13-15-9-6-10-16(15)14-7-2-1-3-8-14/h1-5,7-9,11-12,16H,6,10,13H2
InChIKeyILJZDOYOVJRYLJ-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.36
Rot. Bonds4

About 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine

2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine (PubChem CID 86068707) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine
PubChem CID86068707
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine
SMILESO=S(=O)(CC1=CCCC1c1ccccc1)c1ccccn1
InChIInChI=1S/C17H17NO2S/c19-21(20,17-11-4-5-12-18-17)13-15-9-6-10-16(15)14-7-2-1-3-8-14/h1-5,7-9,11-12,16H,6,10,13H2
InChIKeyILJZDOYOVJRYLJ-UHFFFAOYSA-N
XLogP3.36
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine?
The IUPAC name of 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine (CID 86068707) is 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine.
What is the SMILES notation for 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine?
The canonical SMILES for 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine is O=S(=O)(CC1=CCCC1c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine?
The InChIKey is ILJZDOYOVJRYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-21(20,17-11-4-5-12-18-17)13-15-9-6-10-16(15)14-7-2-1-3-8-14/h1-5,7-9,11-12,16H,6,10,13H2.
What are the key properties of 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine?
2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine has a molecular weight of 299.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine is sourced from PubChem (CID 86068707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).