2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide

C11H19F3N2OS — CID 71988546

IUPAC2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1CN(C(C)C(=O)NCC(F)(F)F)CCS1
InChIInChI=1S/C11H19F3N2OS/c1-3-9-6-16(4-5-18-9)8(2)10(17)15-7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyJEMIXQRJLSFMKA-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.88
Rot. Bonds4

About 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 71988546) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID71988546
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1CN(C(C)C(=O)NCC(F)(F)F)CCS1
InChIInChI=1S/C11H19F3N2OS/c1-3-9-6-16(4-5-18-9)8(2)10(17)15-7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyJEMIXQRJLSFMKA-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 53383071
N-pentan-3-yl-2-thiomorpholin-4-ylacetamide
CID 53523746
3,6-Bis(2-(methylthio)ethyl)-2,5-piperazinedione
CID 169842
2-Amino-3-(methylsulfanyl)-1-(piperazin-1-yl)propan-1-one
CID 82506609
3-methyl-4-(2-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383073
(3S,6S)-3,6-bis(2-methylsulfanylethyl)piperazine-2,5-dione
CID 6993079
N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
CID 38441371
(2R)-N-methyl-2-(thian-3-ylamino)propanamide
CID 86787638
4-(3-Fluoropropyl)thiomorpholine-3-carboxamide
CID 86814377
2,2,2-trifluoro-N-[(7R)-7-methyl-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-4-yl]acetamide
CID 54493766

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 71988546) is 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is CCC1CN(C(C)C(=O)NCC(F)(F)F)CCS1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JEMIXQRJLSFMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-3-9-6-16(4-5-18-9)8(2)10(17)15-7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 284.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 71988546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).