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

C13H16ClF3N2OS2 — CID 119936148

IUPAC2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C13H15F3N2OS2.ClH/c14-13(15,16)21-11-4-2-1-3-10(11)18-12(19)7-9-8-20-6-5-17-9;/h1-4,9,17H,5-8H2,(H,18,19);1H
InChIKeyAEQXGYPOWTYKRU-UHFFFAOYSA-N
MW372.87 g/mol
LogP3.75
Rot. Bonds4

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

2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride (PubChem CID 119936148) has the molecular formula C13H16ClF3N2OS2 and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
PubChem CID119936148
Molecular FormulaC13H16ClF3N2OS2
Molecular Weight372.87 g/mol
Exact Mass372.03
IUPAC Name2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C13H15F3N2OS2.ClH/c14-13(15,16)21-11-4-2-1-3-10(11)18-12(19)7-9-8-20-6-5-17-9;/h1-4,9,17H,5-8H2,(H,18,19);1H
InChIKeyAEQXGYPOWTYKRU-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119706973
N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936955
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 66420248
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936226
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride (CID 119936148) is 2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride is Cl.O=C(CC1CSCCN1)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The InChIKey is AEQXGYPOWTYKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS2.ClH/c14-13(15,16)21-11-4-2-1-3-10(11)18-12(19)7-9-8-20-6-5-17-9;/h1-4,9,17H,5-8H2,(H,18,19);1H.
What are the key properties of 2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride has a molecular weight of 372.87 g/mol, XLogP of 3.75, 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-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119936148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).