N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O3S — CID 78914757

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1(NC(=O)CNCC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c1-8(2-3-18(16,17)6-8)14-7(15)4-13-5-9(10,11)12/h13H,2-6H2,1H3,(H,14,15)
InChIKeyVRUAOXYZGWIZHR-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.17
Rot. Bonds4

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914757) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914757
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1(NC(=O)CNCC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c1-8(2-3-18(16,17)6-8)14-7(15)4-13-5-9(10,11)12/h13H,2-6H2,1H3,(H,14,15)
InChIKeyVRUAOXYZGWIZHR-UHFFFAOYSA-N
XLogP-0.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914757) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CC1(NC(=O)CNCC(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VRUAOXYZGWIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-8(2-3-18(16,17)6-8)14-7(15)4-13-5-9(10,11)12/h13H,2-6H2,1H3,(H,14,15).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 288.29 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).