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

2-(2-ethyl-1-methylpiperidin-4-yl)sulfanylpyridine
CID 58762866
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631
tert-butyl (3S)-3-pyridin-2-ylsulfanylpiperidine-1-carboxylate
CID 95387140
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
ethane;methoxymethylbenzene;3-pyridin-2-ylsulfanylazetidine-1-carbaldehyde
CID 142529758
1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine
CID 82171508
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496
2-[[(3aR)-3-ethoxy-4,5,6,7-tetrahydro-3aH-inden-1-yl]sulfanyl]pyridine
CID 101158275
3-benzhydrylsulfanyl-1-ethylpiperidine
CID 154215417
3-pyridin-2-ylsulfanylthiane 1,1-dioxide
CID 11687384
ethane;methyl 2-[3-(1-ethylpyrrolidin-3-yl)sulfanylphenyl]acetate
CID 90697969
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322

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).