2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide

C11H19F3N2O4S — CID 79792936

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(C(=O)C(C)(N)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19F3N2O4S/c1-10(15,11(12,13)14)9(17)16(4-5-20-2)8-3-6-21(18,19)7-8/h8H,3-7,15H2,1-2H3
InChIKeyZHZXYMODCVEIHH-UHFFFAOYSA-N
MW332.34 g/mol
LogP-0.07
Rot. Bonds5

About 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide

2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 79792936) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID79792936
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(C(=O)C(C)(N)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19F3N2O4S/c1-10(15,11(12,13)14)9(17)16(4-5-20-2)8-3-6-21(18,19)7-8/h8H,3-7,15H2,1-2H3
InChIKeyZHZXYMODCVEIHH-UHFFFAOYSA-N
XLogP-0.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide 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-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide (CID 79792936) is 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide is COCCN(C(=O)C(C)(N)C(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is ZHZXYMODCVEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-10(15,11(12,13)14)9(17)16(4-5-20-2)8-3-6-21(18,19)7-8/h8H,3-7,15H2,1-2H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 332.34 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 79792936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).