2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

C6H11F3N2O3S — CID 81173715

IUPAC2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCS(=O)(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)4-11-5(12)3-15(13,14)2-1-10/h1-4,10H2,(H,11,12)
InChIKeyIFOQKCFOGFEJKX-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.96
Rot. Bonds5

About 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81173715) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81173715
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCS(=O)(=O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)4-11-5(12)3-15(13,14)2-1-10/h1-4,10H2,(H,11,12)
InChIKeyIFOQKCFOGFEJKX-UHFFFAOYSA-N
XLogP-0.96
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81173715) is 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is NCCS(=O)(=O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IFOQKCFOGFEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c7-6(8,9)4-11-5(12)3-15(13,14)2-1-10/h1-4,10H2,(H,11,12).
What are the key properties of 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 248.23 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81173715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).