sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride

C4H6NNaO6S — CID 175400890

IUPACsodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride
SMILESO=C1CCC(=O)N1OS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H5NO6S.Na.H/c6-3-1-2-4(7)5(3)11-12(8,9)10;;/h1-2H2,(H,8,9,10);;/q;+1;-1
InChIKeyYCPXIPSCFBIFIM-UHFFFAOYSA-N
MW219.15 g/mol
LogP-4.01
Rot. Bonds2

About sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride

sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride (PubChem CID 175400890) has the molecular formula C4H6NNaO6S and a molecular weight of 219.15 g/mol. Its IUPAC name is sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride.

Molecular Properties

Compound Namesodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride
PubChem CID175400890
Molecular FormulaC4H6NNaO6S
Molecular Weight219.15 g/mol
Exact Mass218.98
IUPAC Namesodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride
SMILESO=C1CCC(=O)N1OS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H5NO6S.Na.H/c6-3-1-2-4(7)5(3)11-12(8,9)10;;/h1-2H2,(H,8,9,10);;/q;+1;-1
InChIKeyYCPXIPSCFBIFIM-UHFFFAOYSA-N
XLogP-4.01
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 5-4.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]oxypyrrolidine-2,5-dione
CID 162550338
(2,5-dioxopyrrolidin-1-yl) 1-chloroethanesulfonate
CID 21225827
(2,5-dioxopyrrolidin-1-yl) 2-chloroethanesulfonate
CID 21074441
(2-oxoazepan-1-yl) hydrogen sulfate
CID 174726288
sulfo 2,5-dioxopyrrolidine-1-carboxylate
CID 140642437
bis(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3-sulfooxybutanedioate
CID 18401347
(2,5-dioxopyrrolidin-1-yl) 2,4,6-trichlorobenzenesulfonate
CID 118292912
1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxo-4-sulfanylbutane-2-sulfonic acid
CID 142617179
3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxo-1,1-bis(sulfanyl)propane-1-sulfonic acid
CID 57450732
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
CID 90296712
2H-pyridin-1-yl hydrogen sulfate
CID 23283877
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778

Frequently Asked Questions

What is the IUPAC name of sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride?
The IUPAC name of sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride (CID 175400890) is sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride.
What is the SMILES notation for sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride?
The canonical SMILES for sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride is O=C1CCC(=O)N1OS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride?
The InChIKey is YCPXIPSCFBIFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO6S.Na.H/c6-3-1-2-4(7)5(3)11-12(8,9)10;;/h1-2H2,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride?
sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride has a molecular weight of 219.15 g/mol, XLogP of -4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2,5-dioxopyrrolidin-1-yl) hydrogen sulfate;hydride is sourced from PubChem (CID 175400890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).