N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2OS — CID 66421062

IUPACN-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C11H19F3N2OS/c1-2-4-16(8-11(12,13)14)10(17)6-9-7-18-5-3-15-9/h9,15H,2-8H2,1H3
InChIKeyKQFNJLXCQBANJF-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.88
Rot. Bonds5

About N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66421062) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66421062
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC NameN-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C11H19F3N2OS/c1-2-4-16(8-11(12,13)14)10(17)6-9-7-18-5-3-15-9/h9,15H,2-8H2,1H3
InChIKeyKQFNJLXCQBANJF-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-(1,1-difluoro-4-methylsulfanylbutan-2-yl)butanamide
CID 22752139
2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfanyl)butanamide
CID 170770590
(2S)-2-amino-4-methylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 61259795
(3-Methylthiomorpholin-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 64053450
N-[2-(dimethylamino)-2-oxoethyl]-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66420075
2-Thiomorpholin-3-yl-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 66420258
N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66420303
N-cyclopropyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66420304
Methyl 3-[(2-thiomorpholin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 66420470
N-butyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66420867
2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 66420918
N-methyl-2-thiomorpholin-3-yl-N-(3,3,3-trifluoropropyl)acetamide
CID 66421322

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 66421062) is N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)CC1CSCCN1.
What is the InChIKey of N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KQFNJLXCQBANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-2-4-16(8-11(12,13)14)10(17)6-9-7-18-5-3-15-9/h9,15H,2-8H2,1H3.
What are the key properties of N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 284.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66421062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).