(1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite

C5H6FNO2S — CID 155439833

IUPAC(1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite
SMILESCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C5H6FNO2S/c1-7-4(8)2-3(10-6)5(7)9/h3H,2H2,1H3
InChIKeyPGWVZIHAAMMBBX-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.36
Rot. Bonds1

About (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite

(1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite (PubChem CID 155439833) has the molecular formula C5H6FNO2S and a molecular weight of 163.17 g/mol. Its IUPAC name is (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite.

Molecular Properties

Compound Name(1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite
PubChem CID155439833
Molecular FormulaC5H6FNO2S
Molecular Weight163.17 g/mol
Exact Mass163.01
IUPAC Name(1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite
SMILESCN1C(=O)CC(SF)C1=O
InChIInChI=1S/C5H6FNO2S/c1-7-4(8)2-3(10-6)5(7)9/h3H,2H2,1H3
InChIKeyPGWVZIHAAMMBBX-UHFFFAOYSA-N
XLogP0.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
CID 3056964
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 15305425
2,5-Pyrrolidinedione, 3-mercapto-1-methyl-
CID 21153386
1-Ethyl-3-sulfanylpyrrolidine-2,5-dione
CID 59818988
1-(2-Sulfanylethyl)pyrrolidine-2,5-dione
CID 22016357
1-(Fluoromethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 139393627
(3S)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione
CID 444870
(3R)-1-methyl-3-sulfanylpyrrolidine-2,5-dione
CID 44631824
(3S)-2,5-dioxo-3-sulfanylpyrrolidine-1-carbaldehyde
CID 54765320
(3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione
CID 71710893
1-(3-Sulfanylpropyl)pyrrolidine-2,5-dione
CID 20458706
3-Ethylsulfanyl-1-methylpyrrolidine-2,5-dione
CID 22894547

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite?
The IUPAC name of (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite (CID 155439833) is (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite.
What is the SMILES notation for (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite?
The canonical SMILES for (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite is CN1C(=O)CC(SF)C1=O.
What is the InChIKey of (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite?
The InChIKey is PGWVZIHAAMMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2S/c1-7-4(8)2-3(10-6)5(7)9/h3H,2H2,1H3.
What are the key properties of (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite?
(1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite has a molecular weight of 163.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,5-dioxopyrrolidin-3-yl) thiohypofluorite is sourced from PubChem (CID 155439833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).