3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione

C12H15NO2S — CID 79321429

IUPAC3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1ccsc1
InChIInChI=1S/C12H15NO2S/c1-7(2)11-9(8-3-4-16-6-8)5-10(14)13-12(11)15/h3-4,6-7,9,11H,5H2,1-2H3,(H,13,14,15)
InChIKeyQPQKDPBCUMHMQB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.15
Rot. Bonds2

About 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione

3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione (PubChem CID 79321429) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
PubChem CID79321429
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1ccsc1
InChIInChI=1S/C12H15NO2S/c1-7(2)11-9(8-3-4-16-6-8)5-10(14)13-12(11)15/h3-4,6-7,9,11H,5H2,1-2H3,(H,13,14,15)
InChIKeyQPQKDPBCUMHMQB-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione (CID 79321429) is 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione is CC(C)C1C(=O)NC(=O)CC1c1ccsc1.
What is the InChIKey of 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione?
The InChIKey is QPQKDPBCUMHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-7(2)11-9(8-3-4-16-6-8)5-10(14)13-12(11)15/h3-4,6-7,9,11H,5H2,1-2H3,(H,13,14,15).
What are the key properties of 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione?
3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione has a molecular weight of 237.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 79321429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).