thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone

C15H19F3N4OS — CID 2796309

IUPACthiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCSCC1
InChIInChI=1S/C15H19F3N4OS/c16-15(17,18)12-1-4-19-14(20-12)22-5-2-11(3-6-22)13(23)21-7-9-24-10-8-21/h1,4,11H,2-3,5-10H2
InChIKeyGVQAXEMWBIKFBJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.29
Rot. Bonds2

About thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone

thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone (PubChem CID 2796309) has the molecular formula C15H19F3N4OS and a molecular weight of 360.41 g/mol. Its IUPAC name is thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
PubChem CID2796309
Molecular FormulaC15H19F3N4OS
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Namethiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCSCC1
InChIInChI=1S/C15H19F3N4OS/c16-15(17,18)12-1-4-19-14(20-12)22-5-2-11(3-6-22)13(23)21-7-9-24-10-8-21/h1,4,11H,2-3,5-10H2
InChIKeyGVQAXEMWBIKFBJ-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The IUPAC name of thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone (CID 2796309) is thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone is O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The InChIKey is GVQAXEMWBIKFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4OS/c16-15(17,18)12-1-4-19-14(20-12)22-5-2-11(3-6-22)13(23)21-7-9-24-10-8-21/h1,4,11H,2-3,5-10H2.
What are the key properties of thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 2796309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).