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

C6H10NO2S+ — CID 11063334

IUPAC(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium
SMILESC[S+](C)N1C(=O)CCC1=O
InChIInChI=1S/C6H10NO2S/c1-10(2)7-5(8)3-4-6(7)9/h3-4H2,1-2H3/q+1
InChIKeyIYXMDQUPKCFDBV-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.07
Rot. Bonds1

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

(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium (PubChem CID 11063334) has the molecular formula C6H10NO2S+ and a molecular weight of 160.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium
PubChem CID11063334
Molecular FormulaC6H10NO2S+
Molecular Weight160.22 g/mol
Exact Mass160.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium
SMILESC[S+](C)N1C(=O)CCC1=O
InChIInChI=1S/C6H10NO2S/c1-10(2)7-5(8)3-4-6(7)9/h3-4H2,1-2H3/q+1
InChIKeyIYXMDQUPKCFDBV-UHFFFAOYSA-N
XLogP-0.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.07
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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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium (CID 11063334) is (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium is C[S+](C)N1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium?
The InChIKey is IYXMDQUPKCFDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2S/c1-10(2)7-5(8)3-4-6(7)9/h3-4H2,1-2H3/q+1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium?
(2,5-dioxopyrrolidin-1-yl)-dimethylsulfanium has a molecular weight of 160.22 g/mol, XLogP of -0.07, 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 is sourced from PubChem (CID 11063334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).