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

C9H15F3N2O3S — CID 60976405

IUPAC2-[(1,1-dioxothiolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CCS(=O)(=O)C1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-18(16,17)5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyKQIILCDSATZBTI-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.31
Rot. Bonds5

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 60976405) 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 CID60976405
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CCS(=O)(=O)C1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-18(16,17)5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyKQIILCDSATZBTI-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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Related Compounds

2-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-propylacetamide
CID 138006531
1,1-dioxo-N-[2-(trifluoromethylsulfanyl)ethyl]thiolane-3-carboxamide
CID 47042758
2-(3-methylsulfonylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961896
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647008
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60702917
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 62492521
1,1-Dioxo-3-(2,2,2-trifluoroethylamino)thiolane-3-carboxamide
CID 63166384
2-[(1,1-dioxothian-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63922945
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78795420
N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914753
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914757
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914836

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 60976405) 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 O=C(CNCC1CCS(=O)(=O)C1)NCC(F)(F)F.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KQIILCDSATZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c10-9(11,12)6-14-8(15)4-13-3-7-1-2-18(16,17)5-7/h7,13H,1-6H2,(H,14,15).
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 -0.31, 5 rotatable bonds, 2 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 60976405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).