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

C9H15F3N2O3S — CID 78931869

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-18(16,17)5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyPPMGRLNETKSELO-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.31
Rot. Bonds5

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

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78931869) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78931869
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-18(16,17)5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyPPMGRLNETKSELO-UHFFFAOYSA-N
XLogP-0.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78931869) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PPMGRLNETKSELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c10-9(11,12)6-13-4-8(15)14-3-7-1-2-18(16,17)5-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 288.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78931869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).