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

C9H15F3N2O3S — CID 81039423

IUPAC2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CCCS1(=O)=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c10-9(11,12)6-14-8(15)5-13-4-7-2-1-3-18(7,16)17/h7,13H,1-6H2,(H,14,15)
InChIKeyNACGPGOUHNYLFU-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.17
Rot. Bonds5

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

2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81039423) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81039423
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CCCS1(=O)=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c10-9(11,12)6-14-8(15)5-13-4-7-2-1-3-18(7,16)17/h7,13H,1-6H2,(H,14,15)
InChIKeyNACGPGOUHNYLFU-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 81039423) is 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1CCCS1(=O)=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NACGPGOUHNYLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c10-9(11,12)6-14-8(15)5-13-4-7-2-1-3-18(7,16)17/h7,13H,1-6H2,(H,14,15).
What are the key properties of 2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.29 g/mol, XLogP of -0.17, 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-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81039423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).