thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C14H19F3N4OS — CID 131961630

IUPACthiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCSCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C14H19F3N4OS/c15-14(16,17)12-8-11(18-19-12)10-2-1-3-21(9-10)13(22)20-4-6-23-7-5-20/h8,10H,1-7,9H2,(H,18,19)
InChIKeyMZGPFHONLNKKLM-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.78
Rot. Bonds1

About thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 131961630) has the molecular formula C14H19F3N4OS and a molecular weight of 348.39 g/mol. Its IUPAC name is thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID131961630
Molecular FormulaC14H19F3N4OS
Molecular Weight348.39 g/mol
Exact Mass348.12
IUPAC Namethiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCSCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C14H19F3N4OS/c15-14(16,17)12-8-11(18-19-12)10-2-1-3-21(9-10)13(22)20-4-6-23-7-5-20/h8,10H,1-7,9H2,(H,18,19)
InChIKeyMZGPFHONLNKKLM-UHFFFAOYSA-N
XLogP2.78
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 131961630) is thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(N1CCSCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is MZGPFHONLNKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4OS/c15-14(16,17)12-8-11(18-19-12)10-2-1-3-21(9-10)13(22)20-4-6-23-7-5-20/h8,10H,1-7,9H2,(H,18,19).
What are the key properties of thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 348.39 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 131961630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).