(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate

C6H10BF4NO2S — CID 12914524

IUPAC(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate
SMILESC[S+](C)N1C(=O)CCC1=O.F[B-](F)(F)F
InChIInChI=1S/C6H10NO2S.BF4/c1-10(2)7-5(8)3-4-6(7)9;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1
InChIKeyYOOBTKIVSIZFRY-UHFFFAOYSA-N
MW247.02 g/mol
LogP1.23
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate

(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate (PubChem CID 12914524) has the molecular formula C6H10BF4NO2S and a molecular weight of 247.02 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate
PubChem CID12914524
Molecular FormulaC6H10BF4NO2S
Molecular Weight247.02 g/mol
Exact Mass247.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate
SMILESC[S+](C)N1C(=O)CCC1=O.F[B-](F)(F)F
InChIInChI=1S/C6H10NO2S.BF4/c1-10(2)7-5(8)3-4-6(7)9;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1
InChIKeyYOOBTKIVSIZFRY-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.02
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate 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 (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate (CID 12914524) is (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate is C[S+](C)N1C(=O)CCC1=O.F[B-](F)(F)F.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate?
The InChIKey is YOOBTKIVSIZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2S.BF4/c1-10(2)7-5(8)3-4-6(7)9;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate?
(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate has a molecular weight of 247.02 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium tetrafluoroborate is sourced from PubChem (CID 12914524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).