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

C12H20N2O4S — CID 71289758

IUPACN-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCOC(C)NC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C12H20N2O4S/c1-4-18-8(2)13-10(15)5-6-14-11(16)7-9(19-3)12(14)17/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyONUNIMBTUYHACO-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.37
Rot. Bonds7

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

N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 71289758) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID71289758
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCOC(C)NC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C12H20N2O4S/c1-4-18-8(2)13-10(15)5-6-14-11(16)7-9(19-3)12(14)17/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyONUNIMBTUYHACO-UHFFFAOYSA-N
XLogP0.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
CID 134840045
[1-[3-(2-Ethoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl] thiohypofluorite
CID 59335515
N-butyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 57552378
N-[3-(2-methoxyethoxy)propyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
CID 58005091
N-[2-(2-methoxyethoxy)ethyl]-3-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanamide
CID 58005092
N-[3-(2-methylbutoxy)propyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58051574
N-(4-deuteriobutyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58114235
N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58340918
3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide
CID 58445915
4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide
CID 58493165
N-[2-(3-amino-3-oxopropoxy)ethyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58747549
3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide
CID 58785855

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 71289758) is N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCOC(C)NC(=O)CCN1C(=O)CC(SC)C1=O.
What is the InChIKey of N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is ONUNIMBTUYHACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-18-8(2)13-10(15)5-6-14-11(16)7-9(19-3)12(14)17/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 288.37 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 71289758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).