2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine

C11H11NO3S2 — CID 99717016

IUPAC2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine
SMILESCOc1cccc(CS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H11NO3S2/c1-15-10-5-2-4-9(12-10)8-17(13,14)11-6-3-7-16-11/h2-7H,8H2,1H3
InChIKeyPLVOYTFLWKMGAA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.13
Rot. Bonds4

About 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine

2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine (PubChem CID 99717016) has the molecular formula C11H11NO3S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine
PubChem CID99717016
Molecular FormulaC11H11NO3S2
Molecular Weight269.35 g/mol
Exact Mass269.02
IUPAC Name2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine
SMILESCOc1cccc(CS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H11NO3S2/c1-15-10-5-2-4-9(12-10)8-17(13,14)11-6-3-7-16-11/h2-7H,8H2,1H3
InChIKeyPLVOYTFLWKMGAA-UHFFFAOYSA-N
XLogP2.13
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine?
The IUPAC name of 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine (CID 99717016) is 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine?
The canonical SMILES for 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine is COc1cccc(CS(=O)(=O)c2cccs2)n1.
What is the InChIKey of 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine?
The InChIKey is PLVOYTFLWKMGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S2/c1-15-10-5-2-4-9(12-10)8-17(13,14)11-6-3-7-16-11/h2-7H,8H2,1H3.
What are the key properties of 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine?
2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine has a molecular weight of 269.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine is sourced from PubChem (CID 99717016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).