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

C12H12FN3O3S — CID 66751494

IUPAC(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CC[C@](F)(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C12H12FN3O3S/c1-15-8(17)2-3-12(13,11(15)19)16-4-6-7(10(16)18)5-20-9(6)14/h5H,2-4,14H2,1H3/t12-/m0/s1
InChIKeyNGTMBRMXNFJPEH-LBPRGKRZSA-N
MW297.31 g/mol
LogP0.73
Rot. Bonds1

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

(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione (PubChem CID 66751494) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione
PubChem CID66751494
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CC[C@](F)(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C12H12FN3O3S/c1-15-8(17)2-3-12(13,11(15)19)16-4-6-7(10(16)18)5-20-9(6)14/h5H,2-4,14H2,1H3/t12-/m0/s1
InChIKeyNGTMBRMXNFJPEH-LBPRGKRZSA-N
XLogP0.73
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.73
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'}

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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-fluoro-1-methylpiperidine-2,6-dione?
The IUPAC name of (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione (CID 66751494) is (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione?
The canonical SMILES for (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione is CN1C(=O)CC[C@](F)(N2Cc3c(csc3N)C2=O)C1=O.
What is the InChIKey of (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione?
The InChIKey is NGTMBRMXNFJPEH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-15-8(17)2-3-12(13,11(15)19)16-4-6-7(10(16)18)5-20-9(6)14/h5H,2-4,14H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione?
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione has a molecular weight of 297.31 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 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-fluoro-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 66751494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).