2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

C13H15F3N2OS2 — CID 66420248

IUPAC2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2OS2/c14-13(15,16)21-11-3-1-9(2-4-11)18-12(19)7-10-8-20-6-5-17-10/h1-4,10,17H,5-8H2,(H,18,19)
InChIKeyJFJDABISFMFSDW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.33
Rot. Bonds4

About 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 66420248) has the molecular formula C13H15F3N2OS2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID66420248
Molecular FormulaC13H15F3N2OS2
Molecular Weight336.40 g/mol
Exact Mass336.06
IUPAC Name2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2OS2/c14-13(15,16)21-11-3-1-9(2-4-11)18-12(19)7-10-8-20-6-5-17-10/h1-4,10,17H,5-8H2,(H,18,19)
InChIKeyJFJDABISFMFSDW-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
2-thiomorpholin-3-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide;hydrochloride
CID 119937742

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (CID 66420248) is 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is O=C(CC1CSCCN1)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is JFJDABISFMFSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS2/c14-13(15,16)21-11-3-1-9(2-4-11)18-12(19)7-10-8-20-6-5-17-10/h1-4,10,17H,5-8H2,(H,18,19).
What are the key properties of 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 66420248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).