3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione

C15H18N2O3S — CID 162504424

IUPAC3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESCC(C)(C)c1csc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)8-7-21-10-6-17(14(20)12(8)10)9-4-5-11(18)16-13(9)19/h7,9H,4-6H2,1-3H3,(H,16,18,19)
InChIKeyYIWGTZJTRXXLJM-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.81
Rot. Bonds1

About 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione

3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione (PubChem CID 162504424) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
PubChem CID162504424
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESCC(C)(C)c1csc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)8-7-21-10-6-17(14(20)12(8)10)9-4-5-11(18)16-13(9)19/h7,9H,4-6H2,1-3H3,(H,16,18,19)
InChIKeyYIWGTZJTRXXLJM-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)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

3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 156817498
3-[3-[[(4-tert-butylphenyl)sulfanylamino]methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 155354867
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
(3R)-3-[6-(1-tert-butyl-2,2,4,4-tetradeuterioazetidin-3-yl)-4,5,7-trifluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841366
3-[4-bromo-3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342479
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium
CID 163510675
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
(3S)-3-(3-bromo-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608405
3-(4-fluoro-7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342570
(3S)-3-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608394
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione (CID 162504424) is 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione is CC(C)(C)c1csc2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione?
The InChIKey is YIWGTZJTRXXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2,3)8-7-21-10-6-17(14(20)12(8)10)9-4-5-11(18)16-13(9)19/h7,9H,4-6H2,1-3H3,(H,16,18,19).
What are the key properties of 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione?
3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione has a molecular weight of 306.39 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione is sourced from PubChem (CID 162504424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).