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

C6H10ClNO2S — CID 11063333

IUPAC(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride
SMILESC[S+](C)N1C(=O)CCC1=O.[Cl-]
InChIInChI=1S/C6H10NO2S.ClH/c1-10(2)7-5(8)3-4-6(7)9;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyAIOGDEPLLOKDKL-UHFFFAOYSA-M
MW195.67 g/mol
LogP-3.07
Rot. Bonds1

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

(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride (PubChem CID 11063333) has the molecular formula C6H10ClNO2S and a molecular weight of 195.67 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride
PubChem CID11063333
Molecular FormulaC6H10ClNO2S
Molecular Weight195.67 g/mol
Exact Mass195.01
IUPAC Name(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride
SMILESC[S+](C)N1C(=O)CCC1=O.[Cl-]
InChIInChI=1S/C6H10NO2S.ClH/c1-10(2)7-5(8)3-4-6(7)9;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyAIOGDEPLLOKDKL-UHFFFAOYSA-M
XLogP-3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 5-3.07
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(Methylsulfanyl)pyrrolidine-2,5-dione
CID 326693
1-(Ethylsulfanyl)pyrrolidine-2,5-dione
CID 12348539
1-[Chloro(dimethyl)-lambda4-sulfanyl]pyrrolidine-2,5-dione
CID 12272575
1-(Chlorosulfanyl)pyrrolidine-2,5-dione
CID 12581366
1-Propylsulfanylpyrrolidine-2,5-dione
CID 57384121
1-Butylsulfanylpyrrolidine-2,5-dione
CID 102223619
1-Tert-butylsulfanylpyrrolidine-2,5-dione
CID 20334927
1-Propan-2-ylsulfanylpyrrolidine-2,5-dione
CID 21388488
(2,5-Dioxopyrrolidin-1-yl)(dimethyl)sulfanium tetrafluoroborate
CID 12914524
Dithiopropionic acid succinimidyl ester
CID 129660909
(2,5-Dioxopyrrolidin-1-yl)-dimethylsulfanium
CID 11063334
S-(2,5-dioxopyrrolidin-1-yl) ethanethioate
CID 14770492

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride (CID 11063333) is (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride is C[S+](C)N1C(=O)CCC1=O.[Cl-].
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride?
The InChIKey is AIOGDEPLLOKDKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10NO2S.ClH/c1-10(2)7-5(8)3-4-6(7)9;/h3-4H2,1-2H3;1H/q+1;/p-1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride?
(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium chloride has a molecular weight of 195.67 g/mol, XLogP of -3.07, 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 chloride is sourced from PubChem (CID 11063333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).