[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone

C18H26N2O3S — CID 47952525

IUPAC[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H26N2O3S/c1-2-16-9-3-4-13-20(16)24(22,23)17-10-7-8-15(14-17)18(21)19-11-5-6-12-19/h7-8,10,14,16H,2-6,9,11-13H2,1H3
InChIKeyGYJLPYYRLAUZCD-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.88
Rot. Bonds4

About [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone

[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 47952525) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
PubChem CID47952525
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H26N2O3S/c1-2-16-9-3-4-13-20(16)24(22,23)17-10-7-8-15(14-17)18(21)19-11-5-6-12-19/h7-8,10,14,16H,2-6,9,11-13H2,1H3
InChIKeyGYJLPYYRLAUZCD-UHFFFAOYSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 109065536
1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 83045893
1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 75400479
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
2-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828974
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
(2R)-2-ethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 7324167
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone (CID 47952525) is [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone is CCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is GYJLPYYRLAUZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-16-9-3-4-13-20(16)24(22,23)17-10-7-8-15(14-17)18(21)19-11-5-6-12-19/h7-8,10,14,16H,2-6,9,11-13H2,1H3.
What are the key properties of [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone?
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 350.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 47952525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).