(2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate

C5H7NO5S — CID 23561984

IUPAC(2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate
SMILESCS(=O)OON1C(=O)CCC1=O
InChIInChI=1S/C5H7NO5S/c1-12(9)11-10-6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKeyXWCQTJFAIDJTFC-UHFFFAOYSA-N
MW193.18 g/mol
LogP-0.71
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate

(2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate (PubChem CID 23561984) has the molecular formula C5H7NO5S and a molecular weight of 193.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate
PubChem CID23561984
Molecular FormulaC5H7NO5S
Molecular Weight193.18 g/mol
Exact Mass193.00
IUPAC Name(2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate
SMILESCS(=O)OON1C(=O)CCC1=O
InChIInChI=1S/C5H7NO5S/c1-12(9)11-10-6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKeyXWCQTJFAIDJTFC-UHFFFAOYSA-N
XLogP-0.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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)oxy methanesulfinate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate (CID 23561984) is (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate is CS(=O)OON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate?
The InChIKey is XWCQTJFAIDJTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5S/c1-12(9)11-10-6-4(7)2-3-5(6)8/h2-3H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate?
(2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate has a molecular weight of 193.18 g/mol, XLogP of -0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl)oxy methanesulfinate is sourced from PubChem (CID 23561984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).