3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione

C13H13N3O5S — CID 59765248

IUPAC3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESNc1scc2c1C(=O)N(C1CCC(=O)N(CCO)C1=O)C2=O
InChIInChI=1S/C13H13N3O5S/c14-10-9-6(5-22-10)11(19)16(13(9)21)7-1-2-8(18)15(3-4-17)12(7)20/h5,7,17H,1-4,14H2
InChIKeyCHDIGZKTZRCFPU-UHFFFAOYSA-N
MW323.33 g/mol
LogP-0.56
Rot. Bonds3

About 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione

3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765248) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765248
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC Name3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESNc1scc2c1C(=O)N(C1CCC(=O)N(CCO)C1=O)C2=O
InChIInChI=1S/C13H13N3O5S/c14-10-9-6(5-22-10)11(19)16(13(9)21)7-1-2-8(18)15(3-4-17)12(7)20/h5,7,17H,1-4,14H2
InChIKeyCHDIGZKTZRCFPU-UHFFFAOYSA-N
XLogP-0.56
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione with MolForge

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Related Compounds

4-amino-2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;(2S)-2-aminopropanoic acid
CID 160907229
2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-5-nitroisoindole-1,3-dione
CID 69247749
3-amino-5-(4-methylidene-2-oxocycloheptyl)thieno[3,4-c]pyrrole-4,6-dione
CID 157384410
2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid
CID 69248780
5-amino-2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;2-(diethylamino)acetic acid
CID 69247729
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl propanoate
CID 129190490
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl 2-aminoacetate
CID 69249409
(2S)-2-(diethylamino)propanoic acid;4-fluoro-2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 159539869
4,5-diethyl-2-[1-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 69456037
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl 2-(dimethylamino)acetate
CID 69247962
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl (2S)-2-amino-3-methylbutanoate
CID 89295602
2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione
CID 11417136

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (CID 59765248) is 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is Nc1scc2c1C(=O)N(C1CCC(=O)N(CCO)C1=O)C2=O.
What is the InChIKey of 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is CHDIGZKTZRCFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S/c14-10-9-6(5-22-10)11(19)16(13(9)21)7-1-2-8(18)15(3-4-17)12(7)20/h5,7,17H,1-4,14H2.
What are the key properties of 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 323.33 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).