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

C12H12N2O3S — CID 156817498

IUPAC3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESCc1csc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C12H12N2O3S/c1-6-5-18-10-7(6)4-14(12(10)17)8-2-3-9(15)13-11(8)16/h5,8H,2-4H2,1H3,(H,13,15,16)
InChIKeyIMBFDPUASSEKPH-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.82
Rot. Bonds1

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

3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione (PubChem CID 156817498) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
PubChem CID156817498
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESCc1csc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C12H12N2O3S/c1-6-5-18-10-7(6)4-14(12(10)17)8-2-3-9(15)13-11(8)16/h5,8H,2-4H2,1H3,(H,13,15,16)
InChIKeyIMBFDPUASSEKPH-UHFFFAOYSA-N
XLogP0.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(3-methylthiophen-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416335
1-(3-chloro-4-methylphenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]methyl]urea
CID 135291349
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547
3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione
CID 153305161
3-[3-[(4-methylphenoxy)methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 163269119
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219
3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608334
(3S)-3-(3-bromo-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608405
3-(3-tert-butyl-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 162504424
3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171641221
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-(4-fluoro-7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342570

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione (CID 156817498) is 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione is Cc1csc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione?
The InChIKey is IMBFDPUASSEKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-6-5-18-10-7(6)4-14(12(10)17)8-2-3-9(15)13-11(8)16/h5,8H,2-4H2,1H3,(H,13,15,16).
What are the key properties of 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione?
3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione has a molecular weight of 264.31 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione is sourced from PubChem (CID 156817498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).