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

C10H16N2O3S — CID 58340918

IUPACN-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C10H16N2O3S/c1-3-11-8(13)4-5-12-9(14)6-7(16-2)10(12)15/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyLUBQLCWBBHDZTG-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.00
Rot. Bonds5

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

N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 58340918) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID58340918
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)CC(SC)C1=O
InChIInChI=1S/C10H16N2O3S/c1-3-11-8(13)4-5-12-9(14)6-7(16-2)10(12)15/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyLUBQLCWBBHDZTG-UHFFFAOYSA-N
XLogP0.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 58340918) is N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCNC(=O)CCN1C(=O)CC(SC)C1=O.
What is the InChIKey of N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is LUBQLCWBBHDZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-11-8(13)4-5-12-9(14)6-7(16-2)10(12)15/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 244.32 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 58340918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).