3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one

C10H19NO3S — CID 106736095

IUPAC3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one
SMILESCCS(=O)(=O)CCC(=O)C1CCCCN1
InChIInChI=1S/C10H19NO3S/c1-2-15(13,14)8-6-10(12)9-5-3-4-7-11-9/h9,11H,2-8H2,1H3
InChIKeyQCBVVXOMGOSLNR-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.52
Rot. Bonds5

About 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one

3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one (PubChem CID 106736095) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one
PubChem CID106736095
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one
SMILESCCS(=O)(=O)CCC(=O)C1CCCCN1
InChIInChI=1S/C10H19NO3S/c1-2-15(13,14)8-6-10(12)9-5-3-4-7-11-9/h9,11H,2-8H2,1H3
InChIKeyQCBVVXOMGOSLNR-UHFFFAOYSA-N
XLogP0.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one 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

4-ethylsulfonyl-1-piperidin-2-ylbutan-1-one
CID 116547815
3-propylsulfonyl-1-pyrrolidin-2-ylpropan-1-one
CID 106736089
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
2-bromo-1-piperidin-2-ylethanone;hydrobromide
CID 140676583
2-cyclopropyl-1-piperidin-2-ylethanone
CID 119030480
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
3-methyl-6-oxo-6-piperidin-2-ylhexanenitrile
CID 123460973
1-(azepan-2-yl)oct-7-en-1-one
CID 107010905
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 59628860

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one?
The IUPAC name of 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one (CID 106736095) is 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one?
The canonical SMILES for 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one is CCS(=O)(=O)CCC(=O)C1CCCCN1.
What is the InChIKey of 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one?
The InChIKey is QCBVVXOMGOSLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-15(13,14)8-6-10(12)9-5-3-4-7-11-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one?
3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one has a molecular weight of 233.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 106736095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).