3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione

C12H16N2O2S — CID 164720792

IUPAC3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
SMILESCC(C)c1csc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C12H16N2O2S/c1-7(2)8-5-11(17-6-8)13-9-3-4-10(15)14-12(9)16/h5-7,9,13H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyRJJXWYRFJXQVEQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.09
Rot. Bonds3

About 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione

3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione (PubChem CID 164720792) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
PubChem CID164720792
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
SMILESCC(C)c1csc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C12H16N2O2S/c1-7(2)8-5-11(17-6-8)13-9-3-4-10(15)14-12(9)16/h5-7,9,13H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyRJJXWYRFJXQVEQ-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide
CID 70047520
N-(4-butylthiophen-2-yl)-2-(4-oxopiperidin-1-yl)acetamide
CID 70092452
2-acetamido-4-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408163
N-(2,6-dioxopiperidin-3-yl)-5,8-dihydro-4H-thieno[2,3-b]azepine-3-carboxamide
CID 156438425
N-(2,6-dioxopiperidin-3-yl)-5-(ethenylamino)-4-propylthiophene-3-carboxamide
CID 156744916
N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide
CID 156744972
2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide
CID 156745040
3-[(5-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720392
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide
CID 167431027
2-[2-[acetyl(methyl)amino]thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431038
2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431042

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione (CID 164720792) is 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione is CC(C)c1csc(NC2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione?
The InChIKey is RJJXWYRFJXQVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7(2)8-5-11(17-6-8)13-9-3-4-10(15)14-12(9)16/h5-7,9,13H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione?
3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione has a molecular weight of 252.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 164720792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).