2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine

C11H13NS2 — CID 57320214

IUPAC2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine
SMILESCC1=CCC(SCc2ccccn2)S1
InChIInChI=1S/C11H13NS2/c1-9-5-6-11(14-9)13-8-10-4-2-3-7-12-10/h2-5,7,11H,6,8H2,1H3
InChIKeyKWNFRTQMNLCANE-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.68
Rot. Bonds3

About 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine

2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine (PubChem CID 57320214) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine
PubChem CID57320214
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine
SMILESCC1=CCC(SCc2ccccn2)S1
InChIInChI=1S/C11H13NS2/c1-9-5-6-11(14-9)13-8-10-4-2-3-7-12-10/h2-5,7,11H,6,8H2,1H3
InChIKeyKWNFRTQMNLCANE-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine?
The IUPAC name of 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine (CID 57320214) is 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine is CC1=CCC(SCc2ccccn2)S1.
What is the InChIKey of 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine?
The InChIKey is KWNFRTQMNLCANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-9-5-6-11(14-9)13-8-10-4-2-3-7-12-10/h2-5,7,11H,6,8H2,1H3.
What are the key properties of 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine?
2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine has a molecular weight of 223.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 57320214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).