1-methoxy-2,5-dioxopyrrolidine-3-sulfonate

C5H6NO6S- — CID 58252795

IUPAC1-methoxy-2,5-dioxopyrrolidine-3-sulfonate
SMILESCON1C(=O)CC(S(=O)(=O)[O-])C1=O
InChIInChI=1S/C5H7NO6S/c1-12-6-4(7)2-3(5(6)8)13(9,10)11/h3H,2H2,1H3,(H,9,10,11)/p-1
InChIKeyWQZPUWMOQOEQHK-UHFFFAOYSA-M
MW208.17 g/mol
LogP-1.78
Rot. Bonds2

About 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate

1-methoxy-2,5-dioxopyrrolidine-3-sulfonate (PubChem CID 58252795) has the molecular formula C5H6NO6S- and a molecular weight of 208.17 g/mol. Its IUPAC name is 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate.

Molecular Properties

Compound Name1-methoxy-2,5-dioxopyrrolidine-3-sulfonate
PubChem CID58252795
Molecular FormulaC5H6NO6S-
Molecular Weight208.17 g/mol
Exact Mass207.99
IUPAC Name1-methoxy-2,5-dioxopyrrolidine-3-sulfonate
SMILESCON1C(=O)CC(S(=O)(=O)[O-])C1=O
InChIInChI=1S/C5H7NO6S/c1-12-6-4(7)2-3(5(6)8)13(9,10)11/h3H,2H2,1H3,(H,9,10,11)/p-1
InChIKeyWQZPUWMOQOEQHK-UHFFFAOYSA-M
XLogP-1.78
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

ethane;1-methoxy-2,5-dioxopyrrolidine-3-sulfonic acid
CID 143201106
2,5-dioxo-1-propanoyloxypyrrolidine-3-sulfonate
CID 23591794
1-[4-(2,5-dioxopyrrolidin-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 58592352
3-methanidyl-1-methoxypyrrolidine-2,5-dione
CID 90919377
sodium 2,5-dioxo-1-(3-phenylpropanoyloxy)pyrrolidine-3-sulfonate
CID 102472680
sodium 1-octadec-9-enoyloxy-2,5-dioxopyrrolidine-3-sulfonate
CID 53442213
sodium 1-[3-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 25178233
sodium 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyloxy)-2,5-dioxopyrrolidine-3-sulfonate
CID 23687360
CID 175816716
CID 175816716
sodium 1-[3-[4-[hydroxy-bis(4-methylsulfanylphenyl)methyl]phenyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 25178438
disodium;1-[4-[2-[4-(3-oxidoperoxysulfanyl-2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonate
CID 20695362
1-carboniodidoyloxy-2,5-dioxopyrrolidine-3-sulfonic acid
CID 126610979

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate?
The IUPAC name of 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate (CID 58252795) is 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate.
What is the SMILES notation for 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate?
The canonical SMILES for 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate is CON1C(=O)CC(S(=O)(=O)[O-])C1=O.
What is the InChIKey of 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate?
The InChIKey is WQZPUWMOQOEQHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO6S/c1-12-6-4(7)2-3(5(6)8)13(9,10)11/h3H,2H2,1H3,(H,9,10,11)/p-1.
What are the key properties of 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate?
1-methoxy-2,5-dioxopyrrolidine-3-sulfonate has a molecular weight of 208.17 g/mol, XLogP of -1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,5-dioxopyrrolidine-3-sulfonate is sourced from PubChem (CID 58252795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).