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

C14H15FN2O3S — CID 66751528

IUPAC3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione
SMILESCCCN1C(=O)CCC(F)(N2Cc3cscc3C2=O)C1=O
InChIInChI=1S/C14H15FN2O3S/c1-2-5-16-11(18)3-4-14(15,13(16)20)17-6-9-7-21-8-10(9)12(17)19/h7-8H,2-6H2,1H3
InChIKeyGGTFSGATMBQANK-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.93
Rot. Bonds3

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

3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione (PubChem CID 66751528) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione
PubChem CID66751528
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione
SMILESCCCN1C(=O)CCC(F)(N2Cc3cscc3C2=O)C1=O
InChIInChI=1S/C14H15FN2O3S/c1-2-5-16-11(18)3-4-14(15,13(16)20)17-6-9-7-21-8-10(9)12(17)19/h7-8H,2-6H2,1H3
InChIKeyGGTFSGATMBQANK-UHFFFAOYSA-N
XLogP1.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione?
The IUPAC name of 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione (CID 66751528) is 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione.
What is the SMILES notation for 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione?
The canonical SMILES for 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione is CCCN1C(=O)CCC(F)(N2Cc3cscc3C2=O)C1=O.
What is the InChIKey of 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione?
The InChIKey is GGTFSGATMBQANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-2-5-16-11(18)3-4-14(15,13(16)20)17-6-9-7-21-8-10(9)12(17)19/h7-8H,2-6H2,1H3.
What are the key properties of 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione?
3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione has a molecular weight of 310.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-propylpiperidine-2,6-dione is sourced from PubChem (CID 66751528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).