1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone

C15H21NO3S — CID 63844803

IUPAC1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone
SMILESCCS(=O)(=O)c1ccccc1N1CCC(C(C)=O)CC1
InChIInChI=1S/C15H21NO3S/c1-3-20(18,19)15-7-5-4-6-14(15)16-10-8-13(9-11-16)12(2)17/h4-7,13H,3,8-11H2,1-2H3
InChIKeyYINXGDLAGOPDIW-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.29
Rot. Bonds4

About 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone

1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone (PubChem CID 63844803) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone
PubChem CID63844803
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone
SMILESCCS(=O)(=O)c1ccccc1N1CCC(C(C)=O)CC1
InChIInChI=1S/C15H21NO3S/c1-3-20(18,19)15-7-5-4-6-14(15)16-10-8-13(9-11-16)12(2)17/h4-7,13H,3,8-11H2,1-2H3
InChIKeyYINXGDLAGOPDIW-UHFFFAOYSA-N
XLogP2.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
CID 60807769
[1-(2-ethylsulfonylphenyl)pyrrolidin-3-yl]methanamine
CID 62063097
2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61150559
1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
CID 106837320
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
1-(2-ethylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 119166683
4-(1-bromoethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 106838640
(3S,4S)-1-(2-ethylsulfonylphenyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064007
1-(2-ethylsulfonylphenyl)-4-pyridazin-3-yl-1,4-diazepane
CID 91651138
methyl 1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carboxylate
CID 133275055
1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine
CID 103577492
(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine
CID 100664431

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone (CID 63844803) is 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone is CCS(=O)(=O)c1ccccc1N1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone?
The InChIKey is YINXGDLAGOPDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-20(18,19)15-7-5-4-6-14(15)16-10-8-13(9-11-16)12(2)17/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone?
1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone has a molecular weight of 295.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 63844803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).