4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione

C12H15NO2S — CID 13455297

IUPAC4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
SMILESCC1CC(=O)N(CCc2cccs2)C(=O)C1
InChIInChI=1S/C12H15NO2S/c1-9-7-11(14)13(12(15)8-9)5-4-10-3-2-6-16-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyICRSGLKYUNAQTG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.08
Rot. Bonds3

About 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione

4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione (PubChem CID 13455297) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
PubChem CID13455297
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
SMILESCC1CC(=O)N(CCc2cccs2)C(=O)C1
InChIInChI=1S/C12H15NO2S/c1-9-7-11(14)13(12(15)8-9)5-4-10-3-2-6-16-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyICRSGLKYUNAQTG-UHFFFAOYSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione 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

5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione
CID 115945934
6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880870
4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 130948914
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64884033
1-(2-thiophen-2-ylethyl)piperidine-2,4-dione
CID 79516632
4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one
CID 13476319
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889
7-amino-4-(2-thiophen-2-ylethyl)-1,4-benzoxazin-3-one
CID 63773986
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110736543
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64882835
5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 130825934

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione?
The IUPAC name of 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione (CID 13455297) is 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione.
What is the SMILES notation for 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione?
The canonical SMILES for 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione is CC1CC(=O)N(CCc2cccs2)C(=O)C1.
What is the InChIKey of 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione?
The InChIKey is ICRSGLKYUNAQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-9-7-11(14)13(12(15)8-9)5-4-10-3-2-6-16-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione?
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione has a molecular weight of 237.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione is sourced from PubChem (CID 13455297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).