2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

C13H16ClF3N2O2S — CID 119934992

IUPAC2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2S.ClH/c14-13(15,16)20-11-3-1-9(2-4-11)18-12(19)7-10-8-21-6-5-17-10;/h1-4,10,17H,5-8H2,(H,18,19);1H
InChIKeySBWDEBBVEXSEPS-UHFFFAOYSA-N
MW356.80 g/mol
LogP3.04
Rot. Bonds4

About 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119934992) has the molecular formula C13H16ClF3N2O2S and a molecular weight of 356.80 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID119934992
Molecular FormulaC13H16ClF3N2O2S
Molecular Weight356.80 g/mol
Exact Mass356.06
IUPAC Name2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2S.ClH/c14-13(15,16)20-11-3-1-9(2-4-11)18-12(19)7-10-8-21-6-5-17-10;/h1-4,10,17H,5-8H2,(H,18,19);1H
InChIKeySBWDEBBVEXSEPS-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 66420248
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (CID 119934992) is 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is Cl.O=C(CC1CSCCN1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is SBWDEBBVEXSEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S.ClH/c14-13(15,16)20-11-3-1-9(2-4-11)18-12(19)7-10-8-21-6-5-17-10;/h1-4,10,17H,5-8H2,(H,18,19);1H.
What are the key properties of 2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 356.80 g/mol, XLogP of 3.04, 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-(trifluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).