(2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine

C16H17F3N2OS — CID 95553089

IUPAC(2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCSc1ccc2c(C)cc(N3CCO[C@H](C(F)(F)F)C3)nc2c1
InChIInChI=1S/C16H17F3N2OS/c1-10-7-15(20-13-8-11(23-2)3-4-12(10)13)21-5-6-22-14(9-21)16(17,18)19/h3-4,7-8,14H,5-6,9H2,1-2H3/t14-/m0/s1
InChIKeyAGOKDGFIYYPQKZ-AWEZNQCLSA-N
MW342.39 g/mol
LogP4.03
Rot. Bonds2

About (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine

(2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 95553089) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID95553089
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name(2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCSc1ccc2c(C)cc(N3CCO[C@H](C(F)(F)F)C3)nc2c1
InChIInChI=1S/C16H17F3N2OS/c1-10-7-15(20-13-8-11(23-2)3-4-12(10)13)21-5-6-22-14(9-21)16(17,18)19/h3-4,7-8,14H,5-6,9H2,1-2H3/t14-/m0/s1
InChIKeyAGOKDGFIYYPQKZ-AWEZNQCLSA-N
XLogP4.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine (CID 95553089) is (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine is CSc1ccc2c(C)cc(N3CCO[C@H](C(F)(F)F)C3)nc2c1.
What is the InChIKey of (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is AGOKDGFIYYPQKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c1-10-7-15(20-13-8-11(23-2)3-4-12(10)13)21-5-6-22-14(9-21)16(17,18)19/h3-4,7-8,14H,5-6,9H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine?
(2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 342.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-methyl-7-methylsulfanylquinolin-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95553089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).