5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine

C11H11NO2S2 — CID 74246541

IUPAC5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine
SMILESCS(=O)(=O)Cc1ccc(-c2ccsc2)nc1
InChIInChI=1S/C11H11NO2S2/c1-16(13,14)8-9-2-3-11(12-6-9)10-4-5-15-7-10/h2-7H,8H2,1H3
InChIKeyBWGBMSLOUZBNEJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.35
Rot. Bonds3

About 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine

5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine (PubChem CID 74246541) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine.

Molecular Properties

Compound Name5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine
PubChem CID74246541
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine
SMILESCS(=O)(=O)Cc1ccc(-c2ccsc2)nc1
InChIInChI=1S/C11H11NO2S2/c1-16(13,14)8-9-2-3-11(12-6-9)10-4-5-15-7-10/h2-7H,8H2,1H3
InChIKeyBWGBMSLOUZBNEJ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine?
The IUPAC name of 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine (CID 74246541) is 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine.
What is the SMILES notation for 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine?
The canonical SMILES for 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine is CS(=O)(=O)Cc1ccc(-c2ccsc2)nc1.
What is the InChIKey of 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine?
The InChIKey is BWGBMSLOUZBNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-16(13,14)8-9-2-3-11(12-6-9)10-4-5-15-7-10/h2-7H,8H2,1H3.
What are the key properties of 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine?
5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine has a molecular weight of 253.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfonylmethyl)-2-thiophen-3-ylpyridine is sourced from PubChem (CID 74246541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).