4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine

C13H20N2O2S — CID 73439643

IUPAC4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
SMILESCCS(=O)(=O)N1CCCC1CCc1ccncc1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)15-11-3-4-13(15)6-5-12-7-9-14-10-8-12/h7-10,13H,2-6,11H2,1H3
InChIKeyGACQUBNHIOWRFW-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.83
Rot. Bonds5

About 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine

4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine (PubChem CID 73439643) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
PubChem CID73439643
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
SMILESCCS(=O)(=O)N1CCCC1CCc1ccncc1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)15-11-3-4-13(15)6-5-12-7-9-14-10-8-12/h7-10,13H,2-6,11H2,1H3
InChIKeyGACQUBNHIOWRFW-UHFFFAOYSA-N
XLogP1.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 124948555
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
CID 110095085
1-[4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124980097
1-(oxan-4-ylmethylsulfonyl)-2-(2-phenylethyl)pyrrolidine
CID 71997745
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
CID 110103613
2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983002
2-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983003
4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine
CID 124996158

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine?
The IUPAC name of 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine (CID 73439643) is 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine is CCS(=O)(=O)N1CCCC1CCc1ccncc1.
What is the InChIKey of 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine?
The InChIKey is GACQUBNHIOWRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-18(16,17)15-11-3-4-13(15)6-5-12-7-9-14-10-8-12/h7-10,13H,2-6,11H2,1H3.
What are the key properties of 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine?
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine has a molecular weight of 268.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine is sourced from PubChem (CID 73439643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).