3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione

C12H16N2O2S — CID 164720392

IUPAC3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
SMILESCC(C)c1ccc(NC2CCC(=O)NC2=O)s1
InChIInChI=1S/C12H16N2O2S/c1-7(2)9-4-6-11(17-9)13-8-3-5-10(15)14-12(8)16/h4,6-8,13H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyYLUPZHXMCCWFRA-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.09
Rot. Bonds3

About 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione

3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione (PubChem CID 164720392) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
PubChem CID164720392
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
SMILESCC(C)c1ccc(NC2CCC(=O)NC2=O)s1
InChIInChI=1S/C12H16N2O2S/c1-7(2)9-4-6-11(17-9)13-8-3-5-10(15)14-12(8)16/h4,6-8,13H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyYLUPZHXMCCWFRA-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-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 30698517
2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431021
N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 171788475
N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 172831605
(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 166390844
1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094758
N-[5-({4-[4-ethyl-1-(2-methyl-2-propen-1-yl)-2,5-dioxo-4-imidazolidinyl]-1-piperidinyl}methyl)-2-thienyl]acetamide
CID 45170449
1-(5-Methylthiophen-2-yl)piperazin-2-one
CID 67085304
(2S)-2-anilino-N-ethyl-4-methyl-N-thiophen-2-ylpentanamide
CID 69222809
5-acetamido-4-N-(2,6-dioxopiperidin-3-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 156434955
N-(5-cyclopropyl-3-methylthiophen-2-yl)acetamide;2-formamido-N-methyl-5-oxopentanamide
CID 156745056
3-[(4-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720792

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione (CID 164720392) is 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione is CC(C)c1ccc(NC2CCC(=O)NC2=O)s1.
What is the InChIKey of 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione?
The InChIKey is YLUPZHXMCCWFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7(2)9-4-6-11(17-9)13-8-3-5-10(15)14-12(8)16/h4,6-8,13H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione?
3-[(5-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-[(5-propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 164720392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).