(2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate

C18H24N2O4S — CID 151107020

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate
SMILESCCC(CC)C(CCC(=O)ON1C(=O)CCC1=O)Sc1ccccn1
InChIInChI=1S/C18H24N2O4S/c1-3-13(4-2)14(25-15-7-5-6-12-19-15)8-11-18(23)24-20-16(21)9-10-17(20)22/h5-7,12-14H,3-4,8-11H2,1-2H3
InChIKeyMPHYKSLFRQXIQE-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.37
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate

(2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate (PubChem CID 151107020) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate
PubChem CID151107020
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate
SMILESCCC(CC)C(CCC(=O)ON1C(=O)CCC1=O)Sc1ccccn1
InChIInChI=1S/C18H24N2O4S/c1-3-13(4-2)14(25-15-7-5-6-12-19-15)8-11-18(23)24-20-16(21)9-10-17(20)22/h5-7,12-14H,3-4,8-11H2,1-2H3
InChIKeyMPHYKSLFRQXIQE-UHFFFAOYSA-N
XLogP3.37
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate 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) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate (CID 151107020) is (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate is CCC(CC)C(CCC(=O)ON1C(=O)CCC1=O)Sc1ccccn1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate?
The InChIKey is MPHYKSLFRQXIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-3-13(4-2)14(25-15-7-5-6-12-19-15)8-11-18(23)24-20-16(21)9-10-17(20)22/h5-7,12-14H,3-4,8-11H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate?
(2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate has a molecular weight of 364.47 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-ethyl-4-pyridin-2-ylsulfanylheptanoate is sourced from PubChem (CID 151107020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).