3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione

C11H13NO2S — CID 16639181

IUPAC3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione
SMILESCCC1(c2cccs2)CCC(=O)NC1=O
InChIInChI=1S/C11H13NO2S/c1-2-11(8-4-3-7-15-8)6-5-9(13)12-10(11)14/h3-4,7H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyNGZPQDZKGKROHS-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.83
Rot. Bonds2

About 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione

3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione (PubChem CID 16639181) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione
PubChem CID16639181
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione
SMILESCCC1(c2cccs2)CCC(=O)NC1=O
InChIInChI=1S/C11H13NO2S/c1-2-11(8-4-3-7-15-8)6-5-9(13)12-10(11)14/h3-4,7H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyNGZPQDZKGKROHS-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 46943863
5-Ethyl-5-(2-thenyl)barbituric acid
CID 3026971
2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 2963269
N-isopentyl-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 42435315
Thiol-succinimide
CID 67512850
(2S)-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-thiophen-2-ylpropanamide
CID 95905608
4-Bis(2-thienyl)pyrrole-2,5-dione
CID 168477392
3-(4-Fluorophenyl)-4-(3-methylthiophen-2-yl)piperidine-2,6-dione
CID 79430185
3-(4-Fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione
CID 79430191
3-(3-Fluorophenyl)-4-thiophen-2-ylpiperidine-2,6-dione
CID 79430357
3-(3-Fluorophenyl)-4-(3-methylthiophen-2-yl)piperidine-2,6-dione
CID 79431468
3-(3-Fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione
CID 79431978

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione?
The IUPAC name of 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione (CID 16639181) is 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione?
The canonical SMILES for 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione is CCC1(c2cccs2)CCC(=O)NC1=O.
What is the InChIKey of 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione?
The InChIKey is NGZPQDZKGKROHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-2-11(8-4-3-7-15-8)6-5-9(13)12-10(11)14/h3-4,7H,2,5-6H2,1H3,(H,12,13,14).
What are the key properties of 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione?
3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione has a molecular weight of 223.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 16639181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).