2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

C8H15F3N2O3S — CID 64584365

IUPAC2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCCS(=O)(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-4-17(15,16)13(6-8(9,10)11)5-7(14)12(2)3/h4-6H2,1-3H3
InChIKeyBDQPMXZXGMCQHB-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.29
Rot. Bonds5

About 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (PubChem CID 64584365) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
PubChem CID64584365
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCCS(=O)(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-4-17(15,16)13(6-8(9,10)11)5-7(14)12(2)3/h4-6H2,1-3H3
InChIKeyBDQPMXZXGMCQHB-UHFFFAOYSA-N
XLogP0.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[methyl(1,1,1-trifluoropropan-2-ylsulfonyl)amino]acetamide
CID 75452067
2-[3-chloropropylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 54877257
2-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950228
2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61354870
2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61384250
2,2,2-Trifluoro-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 62728775
2-[chloromethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 63663907
N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 64584364
N,N-dimethyl-2-[methylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 64584366
N,N-dimethyl-2-[propylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 64584559
N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78865570
N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958472

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (CID 64584365) is 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is CCS(=O)(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The InChIKey is BDQPMXZXGMCQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-4-17(15,16)13(6-8(9,10)11)5-7(14)12(2)3/h4-6H2,1-3H3.
What are the key properties of 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide has a molecular weight of 276.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 64584365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).