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

C13H15F3N2O2S — CID 66420618

IUPAC2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c14-13(15,16)20-11-3-1-2-9(6-11)18-12(19)7-10-8-21-5-4-17-10/h1-3,6,10,17H,4-5,7-8H2,(H,18,19)
InChIKeyBPGMSDXUDLNCPH-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.62
Rot. Bonds4

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

2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 66420618) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID66420618
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC Name2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1CSCCN1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c14-13(15,16)20-11-3-1-2-9(6-11)18-12(19)7-10-8-21-5-4-17-10/h1-3,6,10,17H,4-5,7-8H2,(H,18,19)
InChIKeyBPGMSDXUDLNCPH-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.62
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
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939161
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936409
N-[3-[(3-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939106
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936406
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936766
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 66420618) is 2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(CC1CSCCN1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is BPGMSDXUDLNCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c14-13(15,16)20-11-3-1-2-9(6-11)18-12(19)7-10-8-21-5-4-17-10/h1-3,6,10,17H,4-5,7-8H2,(H,18,19).
What are the key properties of 2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 320.34 g/mol, XLogP of 2.62, 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-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 66420618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).