3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine

C11H11NS — CID 142186892

IUPAC3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine
SMILESCc1cncc(C2=CSC3CC23)c1
InChIInChI=1S/C11H11NS/c1-7-2-8(5-12-4-7)10-6-13-11-3-9(10)11/h2,4-6,9,11H,3H2,1H3
InChIKeyUKPHMGMRDRDBRJ-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.87
Rot. Bonds1

About 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine

3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine (PubChem CID 142186892) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine.

Molecular Properties

Compound Name3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine
PubChem CID142186892
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine
SMILESCc1cncc(C2=CSC3CC23)c1
InChIInChI=1S/C11H11NS/c1-7-2-8(5-12-4-7)10-6-13-11-3-9(10)11/h2,4-6,9,11H,3H2,1H3
InChIKeyUKPHMGMRDRDBRJ-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methyl-5-(4-methylsulfinylphenyl)pyridine
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5-(5-methyl-3-pyridinyl)pyridin-2-amine
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3-(2,6-dimethylphenyl)-5-methylpyridine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine?
The IUPAC name of 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine (CID 142186892) is 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine.
What is the SMILES notation for 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine?
The canonical SMILES for 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine is Cc1cncc(C2=CSC3CC23)c1.
What is the InChIKey of 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine?
The InChIKey is UKPHMGMRDRDBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-7-2-8(5-12-4-7)10-6-13-11-3-9(10)11/h2,4-6,9,11H,3H2,1H3.
What are the key properties of 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine?
3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine has a molecular weight of 189.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-thiabicyclo[3.1.0]hex-3-en-4-yl)pyridine is sourced from PubChem (CID 142186892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).