3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

C10H13F3N2O3S — CID 47042757

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCSC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c11-10(12,13)19-6-4-14-7(16)3-5-15-8(17)1-2-9(15)18/h1-6H2,(H,14,16)
InChIKeyFYXSXOWGASLRAP-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.89
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (PubChem CID 47042757) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
PubChem CID47042757
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCSC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c11-10(12,13)19-6-4-14-7(16)3-5-15-8(17)1-2-9(15)18/h1-6H2,(H,14,16)
InChIKeyFYXSXOWGASLRAP-UHFFFAOYSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (CID 47042757) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is O=C(CCN1C(=O)CCC1=O)NCCSC(F)(F)F.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The InChIKey is FYXSXOWGASLRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c11-10(12,13)19-6-4-14-7(16)3-5-15-8(17)1-2-9(15)18/h1-6H2,(H,14,16).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide has a molecular weight of 298.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 47042757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).