2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine

C11H11NO2S2 — CID 23543367

IUPAC2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine
SMILESCc1ccc(CS(=O)(=O)c2ccccn2)s1
InChIInChI=1S/C11H11NO2S2/c1-9-5-6-10(15-9)8-16(13,14)11-4-2-3-7-12-11/h2-7H,8H2,1H3
InChIKeySLDNARFJKOSAOZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.43
Rot. Bonds3

About 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine

2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine (PubChem CID 23543367) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine
PubChem CID23543367
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine
SMILESCc1ccc(CS(=O)(=O)c2ccccn2)s1
InChIInChI=1S/C11H11NO2S2/c1-9-5-6-10(15-9)8-16(13,14)11-4-2-3-7-12-11/h2-7H,8H2,1H3
InChIKeySLDNARFJKOSAOZ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine?
The IUPAC name of 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine (CID 23543367) is 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine is Cc1ccc(CS(=O)(=O)c2ccccn2)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine?
The InChIKey is SLDNARFJKOSAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-9-5-6-10(15-9)8-16(13,14)11-4-2-3-7-12-11/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine?
2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine has a molecular weight of 253.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-2-yl)methylsulfonyl]pyridine is sourced from PubChem (CID 23543367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).