N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide

C13H12FN3O4S — CID 66751640

IUPACN-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide
SMILESCC(=O)Nc1scc2c1CN([C@@]1(F)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H12FN3O4S/c1-6(18)15-10-7-4-17(11(20)8(7)5-22-10)13(14)3-2-9(19)16-12(13)21/h5H,2-4H2,1H3,(H,15,18)(H,16,19,21)/t13-/m0/s1
InChIKeyONGYGJHNBVZGIT-ZDUSSCGKSA-N
MW325.32 g/mol
LogP0.76
Rot. Bonds2

About N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide

N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide (PubChem CID 66751640) has the molecular formula C13H12FN3O4S and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide
PubChem CID66751640
Molecular FormulaC13H12FN3O4S
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC NameN-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide
SMILESCC(=O)Nc1scc2c1CN([C@@]1(F)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H12FN3O4S/c1-6(18)15-10-7-4-17(11(20)8(7)5-22-10)13(14)3-2-9(19)16-12(13)21/h5H,2-4H2,1H3,(H,15,18)(H,16,19,21)/t13-/m0/s1
InChIKeyONGYGJHNBVZGIT-ZDUSSCGKSA-N
XLogP0.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
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 N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide?
The IUPAC name of N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide (CID 66751640) is N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide.
What is the SMILES notation for N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide?
The canonical SMILES for N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide is CC(=O)Nc1scc2c1CN([C@@]1(F)CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide?
The InChIKey is ONGYGJHNBVZGIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12FN3O4S/c1-6(18)15-10-7-4-17(11(20)8(7)5-22-10)13(14)3-2-9(19)16-12(13)21/h5H,2-4H2,1H3,(H,15,18)(H,16,19,21)/t13-/m0/s1.
What are the key properties of N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide?
N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide has a molecular weight of 325.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide is sourced from PubChem (CID 66751640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).