1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone

C16H23NO3S — CID 83045893

IUPAC1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
SMILESCCCC1CCCCN1S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C16H23NO3S/c1-3-7-15-9-4-5-11-17(15)21(19,20)16-10-6-8-14(12-16)13(2)18/h6,8,10,12,15H,3-5,7,9,11H2,1-2H3
InChIKeyRNJKJEPOBGOIEJ-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.23
Rot. Bonds5

About 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone

1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone (PubChem CID 83045893) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
PubChem CID83045893
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
SMILESCCCC1CCCCN1S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C16H23NO3S/c1-3-7-15-9-4-5-11-17(15)21(19,20)16-10-6-8-14(12-16)13(2)18/h6,8,10,12,15H,3-5,7,9,11H2,1-2H3
InChIKeyRNJKJEPOBGOIEJ-UHFFFAOYSA-N
XLogP3.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 75400479
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525
[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83053469
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 109065536
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 60539561
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone (CID 83045893) is 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone is CCCC1CCCCN1S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone?
The InChIKey is RNJKJEPOBGOIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-3-7-15-9-4-5-11-17(15)21(19,20)16-10-6-8-14(12-16)13(2)18/h6,8,10,12,15H,3-5,7,9,11H2,1-2H3.
What are the key properties of 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone?
1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone has a molecular weight of 309.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 83045893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).