N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide

C14H24N2O4S — CID 137465708

IUPACN-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide
SMILESCCOC(C)(C)CCC(=O)NCCN1C(=O)CC(S)C1=O
InChIInChI=1S/C14H24N2O4S/c1-4-20-14(2,3)6-5-11(17)15-7-8-16-12(18)9-10(21)13(16)19/h10,21H,4-9H2,1-3H3,(H,15,17)
InChIKeyOFQAIIBKXFKFNR-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.76
Rot. Bonds8

About N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide

N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide (PubChem CID 137465708) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide
PubChem CID137465708
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide
SMILESCCOC(C)(C)CCC(=O)NCCN1C(=O)CC(S)C1=O
InChIInChI=1S/C14H24N2O4S/c1-4-20-14(2,3)6-5-11(17)15-7-8-16-12(18)9-10(21)13(16)19/h10,21H,4-9H2,1-3H3,(H,15,17)
InChIKeyOFQAIIBKXFKFNR-UHFFFAOYSA-N
XLogP0.76
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 88983253
3-[3-(2-amino-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(3-ethoxy-3-methylbutyl)propanamide
CID 126672402
4-amino-N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-6-methyl-5-oxooctanamide
CID 89353330
N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 130471010
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 170010835
6-[3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)propanoylamino]hexyl sulfanyl hydrogen phosphite
CID 166462592
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
CID 167062986
ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784408
4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
CID 121263526
N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide
CID 138517805
1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione;propane
CID 142329747

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide?
The IUPAC name of N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide (CID 137465708) is N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide.
What is the SMILES notation for N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide?
The canonical SMILES for N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide is CCOC(C)(C)CCC(=O)NCCN1C(=O)CC(S)C1=O.
What is the InChIKey of N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide?
The InChIKey is OFQAIIBKXFKFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-20-14(2,3)6-5-11(17)15-7-8-16-12(18)9-10(21)13(16)19/h10,21H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide?
N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide has a molecular weight of 316.42 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide is sourced from PubChem (CID 137465708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).