(2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate

C9H15NO5S — CID 21074440

IUPAC(2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate
SMILESCCCCCS(=O)(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H15NO5S/c1-2-3-4-7-16(13,14)15-10-8(11)5-6-9(10)12/h2-7H2,1H3
InChIKeyOPODZSWXRRYPHM-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.59
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate

(2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate (PubChem CID 21074440) has the molecular formula C9H15NO5S and a molecular weight of 249.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate
PubChem CID21074440
Molecular FormulaC9H15NO5S
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate
SMILESCCCCCS(=O)(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H15NO5S/c1-2-3-4-7-16(13,14)15-10-8(11)5-6-9(10)12/h2-7H2,1H3
InChIKeyOPODZSWXRRYPHM-UHFFFAOYSA-N
XLogP0.59
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate (CID 21074440) is (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate is CCCCCS(=O)(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate?
The InChIKey is OPODZSWXRRYPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5S/c1-2-3-4-7-16(13,14)15-10-8(11)5-6-9(10)12/h2-7H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate?
(2,5-dioxopyrrolidin-1-yl) pentane-1-sulfonate has a molecular weight of 249.29 g/mol, XLogP of 0.59, 6 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) pentane-1-sulfonate is sourced from PubChem (CID 21074440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).