1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one

C11H21NO3S — CID 114500199

IUPAC1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one
SMILESCCS(=O)(=O)CCCN1CCC(=O)C(C)C1
InChIInChI=1S/C11H21NO3S/c1-3-16(14,15)8-4-6-12-7-5-11(13)10(2)9-12/h10H,3-9H2,1-2H3
InChIKeyONQIIDCOLZDZKI-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.72
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one

1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one (PubChem CID 114500199) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one
PubChem CID114500199
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one
SMILESCCS(=O)(=O)CCCN1CCC(=O)C(C)C1
InChIInChI=1S/C11H21NO3S/c1-3-16(14,15)8-4-6-12-7-5-11(13)10(2)9-12/h10H,3-9H2,1-2H3
InChIKeyONQIIDCOLZDZKI-UHFFFAOYSA-N
XLogP0.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-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

N-methyl-4-(3-methyl-4-oxopiperidin-1-yl)butanamide
CID 114500379
2,2-dimethyl-6-(3-methyl-4-oxopiperidin-1-yl)hexanenitrile
CID 106710587
3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one
CID 114500283
ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate
CID 114501184
3-methyl-1-propylsulfonylpiperidin-4-one
CID 114500092
2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
CID 114802608
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one
CID 107912283
1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one
CID 114500368
N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide
CID 114808687
1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one
CID 114500510
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
3-methyl-1-methylsulfonylpiperidin-4-one
CID 67386424

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one (CID 114500199) is 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one is CCS(=O)(=O)CCCN1CCC(=O)C(C)C1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one?
The InChIKey is ONQIIDCOLZDZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-16(14,15)8-4-6-12-7-5-11(13)10(2)9-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one?
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one has a molecular weight of 247.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 114500199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).