1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone

C14H17F3N2OS — CID 95633483

IUPAC1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone
SMILESO=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCSCC1
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)13(11-4-2-1-3-5-11)18-10-12(20)19-6-8-21-9-7-19/h1-5,13,18H,6-10H2/t13-/m0/s1
InChIKeyYCRWGRHSLLXYCD-ZDUSSCGKSA-N
MW318.36 g/mol
LogP2.45
Rot. Bonds4

About 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone

1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone (PubChem CID 95633483) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone.

Molecular Properties

Compound Name1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone
PubChem CID95633483
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone
SMILESO=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCSCC1
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)13(11-4-2-1-3-5-11)18-10-12(20)19-6-8-21-9-7-19/h1-5,13,18H,6-10H2/t13-/m0/s1
InChIKeyYCRWGRHSLLXYCD-ZDUSSCGKSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone with MolForge

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Related Compounds

1-(4-benzoylpiperidin-1-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone
CID 86861012
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethanone;dihydrochloride
CID 120747655
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861024
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide
CID 95932398
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethanone
CID 51965745
methyl 2-[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 86860963
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
CID 55036831
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861047
N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861058

Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone?
The IUPAC name of 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone (CID 95633483) is 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone.
What is the SMILES notation for 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone?
The canonical SMILES for 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone is O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone?
The InChIKey is YCRWGRHSLLXYCD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c15-14(16,17)13(11-4-2-1-3-5-11)18-10-12(20)19-6-8-21-9-7-19/h1-5,13,18H,6-10H2/t13-/m0/s1.
What are the key properties of 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone?
1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone has a molecular weight of 318.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone is sourced from PubChem (CID 95633483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).