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'}

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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).