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

C9H15F3N2O3S — CID 79797533

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(N)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c1-8(13,9(10,11)12)7(15)14(2)6-3-4-18(16,17)5-6/h6H,3-5,13H2,1-2H3
InChIKeyKRNPUYKJRRZBBW-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.09
Rot. Bonds2

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

2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide (PubChem CID 79797533) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide
PubChem CID79797533
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(N)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c1-8(13,9(10,11)12)7(15)14(2)6-3-4-18(16,17)5-6/h6H,3-5,13H2,1-2H3
InChIKeyKRNPUYKJRRZBBW-UHFFFAOYSA-N
XLogP-0.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide (CID 79797533) is 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide is CN(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-dimethylpropanamide?
The InChIKey is KRNPUYKJRRZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-8(13,9(10,11)12)7(15)14(2)6-3-4-18(16,17)5-6/h6H,3-5,13H2,1-2H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide has a molecular weight of 288.29 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-dimethylpropanamide is sourced from PubChem (CID 79797533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).