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

C15H17N3O5S — CID 87135223

IUPAC3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal
SMILESCOC(C=O)CN1C(=O)CCC(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C15H17N3O5S/c1-23-8(6-19)4-18-12(20)3-2-11(15(18)22)17-5-9-10(14(17)21)7-24-13(9)16/h6-8,11H,2-5,16H2,1H3
InChIKeyGXLIPHUOPPMTPQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP0.02
Rot. Bonds5

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

3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal (PubChem CID 87135223) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal.

Molecular Properties

Compound Name3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal
PubChem CID87135223
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal
SMILESCOC(C=O)CN1C(=O)CCC(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C15H17N3O5S/c1-23-8(6-19)4-18-12(20)3-2-11(15(18)22)17-5-9-10(14(17)21)7-24-13(9)16/h6-8,11H,2-5,16H2,1H3
InChIKeyGXLIPHUOPPMTPQ-UHFFFAOYSA-N
XLogP0.02
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]acetate
CID 66751820
1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
CID 66751502
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
3-[7-(chloroamino)-3-oxo-1H-isoindol-2-yl]-1-propylpiperidine-2,6-dione
CID 130441969
3-[7-(chloroamino)-3-oxo-1H-isoindol-2-yl]-1-pentylpiperidine-2,6-dione
CID 130441941
piperidin-1-yl 4-[2,6-dioxo-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidin-1-yl]butanoate
CID 66751921
(4S)-4-(6-oxo-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione
CID 147877970
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide
CID 155761911
3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 66751913
2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 11289629

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal?
The IUPAC name of 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal (CID 87135223) is 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal.
What is the SMILES notation for 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal?
The canonical SMILES for 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal is COC(C=O)CN1C(=O)CCC(N2Cc3c(csc3N)C2=O)C1=O.
What is the InChIKey of 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal?
The InChIKey is GXLIPHUOPPMTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-23-8(6-19)4-18-12(20)3-2-11(15(18)22)17-5-9-10(14(17)21)7-24-13(9)16/h6-8,11H,2-5,16H2,1H3.
What are the key properties of 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal?
3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal has a molecular weight of 351.38 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-2,6-dioxopiperidin-1-yl]-2-methoxypropanal is sourced from PubChem (CID 87135223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).