(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione

C14H16FN3O3S — CID 66751584

IUPAC(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione
SMILESCCCN1C(=O)CC[C@@](F)(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C14H16FN3O3S/c1-2-5-17-10(19)3-4-14(15,13(17)21)18-6-8-9(12(18)20)7-22-11(8)16/h7H,2-6,16H2,1H3/t14-/m1/s1
InChIKeyJRLXLKWBMUJGLC-CQSZACIVSA-N
MW325.37 g/mol
LogP1.51
Rot. Bonds3

About (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione

(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione (PubChem CID 66751584) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione
PubChem CID66751584
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione
SMILESCCCN1C(=O)CC[C@@](F)(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C14H16FN3O3S/c1-2-5-17-10(19)3-4-14(15,13(17)21)18-6-8-9(12(18)20)7-22-11(8)16/h7H,2-6,16H2,1H3/t14-/m1/s1
InChIKeyJRLXLKWBMUJGLC-CQSZACIVSA-N
XLogP1.51
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione?
The IUPAC name of (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione (CID 66751584) is (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione?
The canonical SMILES for (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione is CCCN1C(=O)CC[C@@](F)(N2Cc3c(csc3N)C2=O)C1=O.
What is the InChIKey of (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione?
The InChIKey is JRLXLKWBMUJGLC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-2-5-17-10(19)3-4-14(15,13(17)21)18-6-8-9(12(18)20)7-22-11(8)16/h7H,2-6,16H2,1H3/t14-/m1/s1.
What are the key properties of (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione?
(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione has a molecular weight of 325.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione is sourced from PubChem (CID 66751584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).