2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine

C11H16N2S — CID 142009713

IUPAC2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine
SMILESCCN1CCC(Sc2ccccn2)C1
InChIInChI=1S/C11H16N2S/c1-2-13-8-6-10(9-13)14-11-5-3-4-7-12-11/h3-5,7,10H,2,6,8-9H2,1H3
InChIKeyRIPFTJJXXXJVDG-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.27
Rot. Bonds3

About 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine

2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine (PubChem CID 142009713) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine
PubChem CID142009713
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine
SMILESCCN1CCC(Sc2ccccn2)C1
InChIInChI=1S/C11H16N2S/c1-2-13-8-6-10(9-13)14-11-5-3-4-7-12-11/h3-5,7,10H,2,6,8-9H2,1H3
InChIKeyRIPFTJJXXXJVDG-UHFFFAOYSA-N
XLogP2.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-(Phenylthio)pyridine
CID 99184
2-Phenylthiopyridine
CID 817760
Pyridine, 2-(methylthio)-
CID 29076
2-(Methylsulfonyl)pyridine
CID 98667
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
CID 5713317
4,4'-Dipyridyl Sulfide
CID 604650
1-((thiophen-2-yl)methyl)-1H-pyrrole
CID 2804470
3-(Phenylsulfanyl)pyridine
CID 3813610
Pyridine, 3-(methylthio)-
CID 140425
4-(Methylthio)pyridine
CID 140938

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine (CID 142009713) is 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine is CCN1CCC(Sc2ccccn2)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine?
The InChIKey is RIPFTJJXXXJVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-13-8-6-10(9-13)14-11-5-3-4-7-12-11/h3-5,7,10H,2,6,8-9H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine?
2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine has a molecular weight of 208.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)sulfanylpyridine is sourced from PubChem (CID 142009713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).