[1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

C12H15FN2O4S2 — CID 59335525

IUPAC[1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCSC1CC(=O)N(CCCN2C(=O)CC(SF)C2=O)C1=O
InChIInChI=1S/C12H15FN2O4S2/c1-20-7-5-9(16)14(11(7)18)3-2-4-15-10(17)6-8(21-13)12(15)19/h7-8H,2-6H2,1H3
InChIKeyBJEPGEVMAZAECM-UHFFFAOYSA-N
MW334.39 g/mol
LogP0.61
Rot. Bonds6

About [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite

[1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (PubChem CID 59335525) has the molecular formula C12H15FN2O4S2 and a molecular weight of 334.39 g/mol. Its IUPAC name is [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
PubChem CID59335525
Molecular FormulaC12H15FN2O4S2
Molecular Weight334.39 g/mol
Exact Mass334.05
IUPAC Name[1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
SMILESCSC1CC(=O)N(CCCN2C(=O)CC(SF)C2=O)C1=O
InChIInChI=1S/C12H15FN2O4S2/c1-20-7-5-9(16)14(11(7)18)3-2-4-15-10(17)6-8(21-13)12(15)19/h7-8H,2-6H2,1H3
InChIKeyBJEPGEVMAZAECM-UHFFFAOYSA-N
XLogP0.61
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Sulfanediylbis(1-ethylpyrrolidine-2,5-dione)
CID 270424
1-Butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyrrolidine-2,5-dione
CID 229033
1-[2-[2-(2,5-Dioxopyrrolidin-1-yl)ethyldisulfanyl]ethyl]pyrrolidine-2,5-dione
CID 1903476
Bas 00531484
CID 262963
1-Ethyl-3-[2-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylethylsulfanyl]pyrrolidine-2,5-dione
CID 270416
3-Methylsulfanyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2,5-dione
CID 9795324
1-Ethyl-3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione
CID 19814953
1-[2-[2-(2,5-Dioxopyrrolidin-1-yl)ethylsulfanyl]ethyl]pyrrolidine-2,5-dione
CID 20458711
1-[1-[2-(2,5-Dioxopyrrolidin-1-yl)propylsulfanyl]propan-2-yl]pyrrolidine-2,5-dione
CID 20458712
1-[3-[3-(2,5-Dioxopyrrolidin-1-yl)propylsulfanyl]propyl]pyrrolidine-2,5-dione
CID 20458715
1-Methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione
CID 20587183
3-Methylsulfanyl-1-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione
CID 57704333

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The IUPAC name of [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite (CID 59335525) is [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite.
What is the SMILES notation for [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The canonical SMILES for [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is CSC1CC(=O)N(CCCN2C(=O)CC(SF)C2=O)C1=O.
What is the InChIKey of [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
The InChIKey is BJEPGEVMAZAECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S2/c1-20-7-5-9(16)14(11(7)18)3-2-4-15-10(17)6-8(21-13)12(15)19/h7-8H,2-6H2,1H3.
What are the key properties of [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite?
[1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite has a molecular weight of 334.39 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite is sourced from PubChem (CID 59335525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).