5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

C15H18F3N5O5S — CID 23133575

IUPAC5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H18F3N5O5S/c1-14(11(24)21-12(25)22-14)8-29(26,27)23-6-3-9(4-7-23)28-13-19-5-2-10(20-13)15(16,17)18/h2,5,9H,3-4,6-8H2,1H3,(H2,21,22,24,25)
InChIKeyYBRJYLRBMFUELZ-UHFFFAOYSA-N
MW437.40 g/mol
LogP0.27
Rot. Bonds5

About 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 23133575) has the molecular formula C15H18F3N5O5S and a molecular weight of 437.40 g/mol. Its IUPAC name is 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID23133575
Molecular FormulaC15H18F3N5O5S
Molecular Weight437.40 g/mol
Exact Mass437.10
IUPAC Name5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H18F3N5O5S/c1-14(11(24)21-12(25)22-14)8-29(26,27)23-6-3-9(4-7-23)28-13-19-5-2-10(20-13)15(16,17)18/h2,5,9H,3-4,6-8H2,1H3,(H2,21,22,24,25)
InChIKeyYBRJYLRBMFUELZ-UHFFFAOYSA-N
XLogP0.27
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 23133575) is 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is CC1(CS(=O)(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is YBRJYLRBMFUELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O5S/c1-14(11(24)21-12(25)22-14)8-29(26,27)23-6-3-9(4-7-23)28-13-19-5-2-10(20-13)15(16,17)18/h2,5,9H,3-4,6-8H2,1H3,(H2,21,22,24,25).
What are the key properties of 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 437.40 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 23133575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).