2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O3S — CID 78795420

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c1-14(7-2-3-18(16,17)5-7)4-8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyXWQJSVAXWCVYFH-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.22
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78795420) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78795420
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c1-14(7-2-3-18(16,17)5-7)4-8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyXWQJSVAXWCVYFH-UHFFFAOYSA-N
XLogP-0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78795420) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XWQJSVAXWCVYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-14(7-2-3-18(16,17)5-7)4-8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78795420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).