2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide

C12H13F3N2OS — CID 152584418

IUPAC2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1N1CCSCC1
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)8-1-2-10(9(7-8)11(16)18)17-3-5-19-6-4-17/h1-2,7H,3-6H2,(H2,16,18)
InChIKeyYUDSAEBLAASLIB-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.36
Rot. Bonds2

About 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide

2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 152584418) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID152584418
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1N1CCSCC1
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)8-1-2-10(9(7-8)11(16)18)17-3-5-19-6-4-17/h1-2,7H,3-6H2,(H2,16,18)
InChIKeyYUDSAEBLAASLIB-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
CID 43528577
2-thiomorpholin-4-yl-4-(trifluoromethyl)benzaldehyde
CID 129183063
4-[2-nitro-4-(trifluoromethyl)phenyl]thiomorpholine
CID 2732236
2-(4,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarbothioamide
CID 62932311
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
5-amino-2-thiomorpholin-4-ylbenzoic acid
CID 12784668
5-fluoro-2-thiomorpholin-4-ylbenzoic acid
CID 171782891
2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 65462817
4-[2-(chloromethyl)-5-(trifluoromethyl)phenyl]thiomorpholine
CID 129183066
2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165489330
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide (CID 152584418) is 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1N1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is YUDSAEBLAASLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c13-12(14,15)8-1-2-10(9(7-8)11(16)18)17-3-5-19-6-4-17/h1-2,7H,3-6H2,(H2,16,18).
What are the key properties of 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide?
2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 290.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 152584418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).