4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate

C11H15N2O6S- — CID 171812484

IUPAC4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate
SMILESO=C(CC1CCN(S(=O)[O-])CC1)ON1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O6S/c14-9-1-2-10(15)13(9)19-11(16)7-8-3-5-12(6-4-8)20(17)18/h8H,1-7H2,(H,17,18)/p-1
InChIKeyPIFDQCHAQAMQNO-UHFFFAOYSA-M
MW303.32 g/mol
LogP-0.51
Rot. Bonds4

About 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate

4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate (PubChem CID 171812484) has the molecular formula C11H15N2O6S- and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate.

Molecular Properties

Compound Name4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate
PubChem CID171812484
Molecular FormulaC11H15N2O6S-
Molecular Weight303.32 g/mol
Exact Mass303.07
IUPAC Name4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate
SMILESO=C(CC1CCN(S(=O)[O-])CC1)ON1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O6S/c14-9-1-2-10(15)13(9)19-11(16)7-8-3-5-12(6-4-8)20(17)18/h8H,1-7H2,(H,17,18)/p-1
InChIKeyPIFDQCHAQAMQNO-UHFFFAOYSA-M
XLogP-0.51
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate?
The IUPAC name of 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate (CID 171812484) is 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate.
What is the SMILES notation for 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate?
The canonical SMILES for 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate is O=C(CC1CCN(S(=O)[O-])CC1)ON1C(=O)CCC1=O.
What is the InChIKey of 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate?
The InChIKey is PIFDQCHAQAMQNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N2O6S/c14-9-1-2-10(15)13(9)19-11(16)7-8-3-5-12(6-4-8)20(17)18/h8H,1-7H2,(H,17,18)/p-1.
What are the key properties of 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate?
4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate has a molecular weight of 303.32 g/mol, XLogP of -0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate is sourced from PubChem (CID 171812484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).