N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

C12H20N2O4S — CID 58841283

IUPACN-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C12H20N2O4S/c1-3-18-7-5-13-10(15)4-6-14-11(16)8-9(19-2)12(14)17/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyXITFNGXASKYOFQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.02
Rot. Bonds8

About N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 58841283) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID58841283
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C12H20N2O4S/c1-3-18-7-5-13-10(15)4-6-14-11(16)8-9(19-2)12(14)17/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyXITFNGXASKYOFQ-UHFFFAOYSA-N
XLogP0.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 58841283) is N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCOCCNC(=O)CCN1C(=O)CC(SC)C1=O.
What is the InChIKey of N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is XITFNGXASKYOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-3-18-7-5-13-10(15)4-6-14-11(16)8-9(19-2)12(14)17/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 288.37 g/mol, XLogP of 0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 58841283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).