(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione

C13H15N3O3S — CID 68605728

IUPAC(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione
SMILESCC[C@@]1(N2Cc3c(csc3N)C2=O)CCC(=O)NC1=O
InChIInChI=1S/C13H15N3O3S/c1-2-13(4-3-9(17)15-12(13)19)16-5-7-8(11(16)18)6-20-10(7)14/h6H,2-5,14H2,1H3,(H,15,17,19)/t13-/m1/s1
InChIKeyWWSVUVAEEXPAHP-CYBMUJFWSA-N
MW293.35 g/mol
LogP0.87
Rot. Bonds2

About (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione

(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione (PubChem CID 68605728) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione
PubChem CID68605728
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione
SMILESCC[C@@]1(N2Cc3c(csc3N)C2=O)CCC(=O)NC1=O
InChIInChI=1S/C13H15N3O3S/c1-2-13(4-3-9(17)15-12(13)19)16-5-7-8(11(16)18)6-20-10(7)14/h6H,2-5,14H2,1H3,(H,15,17,19)/t13-/m1/s1
InChIKeyWWSVUVAEEXPAHP-CYBMUJFWSA-N
XLogP0.87
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione?
The IUPAC name of (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione (CID 68605728) is (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione?
The canonical SMILES for (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione is CC[C@@]1(N2Cc3c(csc3N)C2=O)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione?
The InChIKey is WWSVUVAEEXPAHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-13(4-3-9(17)15-12(13)19)16-5-7-8(11(16)18)6-20-10(7)14/h6H,2-5,14H2,1H3,(H,15,17,19)/t13-/m1/s1.
What are the key properties of (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione?
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione has a molecular weight of 293.35 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione is sourced from PubChem (CID 68605728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).