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

C9H15F3N2O3S — CID 60702917

IUPAC2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(NCC(=O)NCC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c1-8(2-3-18(16,17)6-8)14-4-7(15)13-5-9(10,11)12/h14H,2-6H2,1H3,(H,13,15)
InChIKeySPLICHYCRIEQNY-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.17
Rot. Bonds4

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

2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60702917) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60702917
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(NCC(=O)NCC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C9H15F3N2O3S/c1-8(2-3-18(16,17)6-8)14-4-7(15)13-5-9(10,11)12/h14H,2-6H2,1H3,(H,13,15)
InChIKeySPLICHYCRIEQNY-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 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60702917) is 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC1(NCC(=O)NCC(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SPLICHYCRIEQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-8(2-3-18(16,17)6-8)14-4-7(15)13-5-9(10,11)12/h14H,2-6H2,1H3,(H,13,15).
What are the key properties of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)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 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60702917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).