methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate

C14H15N3O5S — CID 66751820

IUPACmethyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CCC(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C14H15N3O5S/c1-22-11(19)5-17-10(18)3-2-9(14(17)21)16-4-7-8(13(16)20)6-23-12(7)15/h6,9H,2-5,15H2,1H3
InChIKeyLIGMVAURSLMEHK-UHFFFAOYSA-N
MW337.36 g/mol
LogP-0.02
Rot. Bonds3

About methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate

methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate (PubChem CID 66751820) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate
PubChem CID66751820
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Namemethyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CCC(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C14H15N3O5S/c1-22-11(19)5-17-10(18)3-2-9(14(17)21)16-4-7-8(13(16)20)6-23-12(7)15/h6,9H,2-5,15H2,1H3
InChIKeyLIGMVAURSLMEHK-UHFFFAOYSA-N
XLogP-0.02
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate 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-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal
CID 87135223
tert-butyl 2-[3-[7-(7-aminoheptylamino)-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]acetate
CID 171827883
1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
CID 66751502
piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate
CID 66751921
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide
CID 155761911
3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
CID 59765248
1-methyl-3-[6-oxo-3-[(4-prop-1-en-2-ylphenoxy)methyl]-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 167478982
3-(7-amino-3-oxo-1H-isoindol-2-yl)-1-(4-butan-2-yloxybutyl)piperidine-2,6-dione
CID 169257394
methyl 2-(3-chloro-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)acetate
CID 50794266
3-[7-(chloroamino)-3-oxo-1H-isoindol-2-yl]-1-pentylpiperidine-2,6-dione
CID 130441941
3-[7-(chloroamino)-3-oxo-1H-isoindol-2-yl]-1-propylpiperidine-2,6-dione
CID 130441969
[3-(6-fluoro-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate
CID 164846631

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate (CID 66751820) is methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate is COC(=O)CN1C(=O)CCC(N2Cc3c(csc3N)C2=O)C1=O.
What is the InChIKey of methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate?
The InChIKey is LIGMVAURSLMEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-22-11(19)5-17-10(18)3-2-9(14(17)21)16-4-7-8(13(16)20)6-23-12(7)15/h6,9H,2-5,15H2,1H3.
What are the key properties of methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate?
methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate has a molecular weight of 337.36 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate is sourced from PubChem (CID 66751820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).