2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C9H17F3N2O2S — CID 113494695

IUPAC2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCS(=O)CCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-3-17(16)5-4-13-7(2)8(15)14-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyLQTTZBZFLUDEOS-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.41
Rot. Bonds7

About 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113494695) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113494695
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCS(=O)CCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-3-17(16)5-4-13-7(2)8(15)14-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyLQTTZBZFLUDEOS-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
CID 113494710
2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 103711244
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
CID 113494724
2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 106325255
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106285348
2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106309732
2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571284
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104922013
2-[2-(cyclopropylmethoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233536
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 113494695) is 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CCS(=O)CCNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LQTTZBZFLUDEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-3-17(16)5-4-13-7(2)8(15)14-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 274.31 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113494695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).