N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide

C13H22N2O3S — CID 58807565

IUPACN-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide
SMILESCCSC1CC(=O)N(CCCCCNC(C)=O)C1=O
InChIInChI=1S/C13H22N2O3S/c1-3-19-11-9-12(17)15(13(11)18)8-6-4-5-7-14-10(2)16/h11H,3-9H2,1-2H3,(H,14,16)
InChIKeyCRHXOZHTSULQMG-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.17
Rot. Bonds8

About N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide

N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide (PubChem CID 58807565) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide
PubChem CID58807565
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide
SMILESCCSC1CC(=O)N(CCCCCNC(C)=O)C1=O
InChIInChI=1S/C13H22N2O3S/c1-3-19-11-9-12(17)15(13(11)18)8-6-4-5-7-14-10(2)16/h11H,3-9H2,1-2H3,(H,14,16)
InChIKeyCRHXOZHTSULQMG-UHFFFAOYSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide 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 N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide?
The IUPAC name of N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide (CID 58807565) is N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide.
What is the SMILES notation for N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide?
The canonical SMILES for N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide is CCSC1CC(=O)N(CCCCCNC(C)=O)C1=O.
What is the InChIKey of N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide?
The InChIKey is CRHXOZHTSULQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-19-11-9-12(17)15(13(11)18)8-6-4-5-7-14-10(2)16/h11H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide?
N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide has a molecular weight of 286.40 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentyl]acetamide is sourced from PubChem (CID 58807565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).