[ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite

C18H26FNO2S2 — CID 155745317

IUPAC[ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite
SMILESCC(C)(C)S(SF)(c1ccc(N2C(=O)CCC2=O)cc1)C(C)(C)C
InChIInChI=1S/C18H26FNO2S2/c1-17(2,3)24(23-19,18(4,5)6)14-9-7-13(8-10-14)20-15(21)11-12-16(20)22/h7-10H,11-12H2,1-6H3
InChIKeySIFLMWHMCRCZPL-UHFFFAOYSA-N
MW371.54 g/mol
LogP5.63
Rot. Bonds3

About [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite

[ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite (PubChem CID 155745317) has the molecular formula C18H26FNO2S2 and a molecular weight of 371.54 g/mol. Its IUPAC name is [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite.

Molecular Properties

Compound Name[ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite
PubChem CID155745317
Molecular FormulaC18H26FNO2S2
Molecular Weight371.54 g/mol
Exact Mass371.14
IUPAC Name[ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite
SMILESCC(C)(C)S(SF)(c1ccc(N2C(=O)CCC2=O)cc1)C(C)(C)C
InChIInChI=1S/C18H26FNO2S2/c1-17(2,3)24(23-19,18(4,5)6)14-9-7-13(8-10-14)20-15(21)11-12-16(20)22/h7-10H,11-12H2,1-6H3
InChIKeySIFLMWHMCRCZPL-UHFFFAOYSA-N
XLogP5.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 873017
1-(4-sulfanylphenyl)pyrrolidine-2,5-dione
CID 132842992
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 42347010
1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione
CID 86007411
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde
CID 106913640
1-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 146022754
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]phenyl]-1-phenylethyl]phenoxy]phenyl]pyrrolidine-2,5-dione
CID 2852422
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione
CID 112507427

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite?
The IUPAC name of [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite (CID 155745317) is [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite.
What is the SMILES notation for [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite?
The canonical SMILES for [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite is CC(C)(C)S(SF)(c1ccc(N2C(=O)CCC2=O)cc1)C(C)(C)C.
What is the InChIKey of [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite?
The InChIKey is SIFLMWHMCRCZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2S2/c1-17(2,3)24(23-19,18(4,5)6)14-9-7-13(8-10-14)20-15(21)11-12-16(20)22/h7-10H,11-12H2,1-6H3.
What are the key properties of [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite?
[ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite has a molecular weight of 371.54 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite is sourced from PubChem (CID 155745317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).