(5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

C16H19F3N4O5S — CID 59794449

IUPAC(5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H19F3N4O5S/c1-15(13(24)21-14(25)22-15)9-29(26,27)23-6-4-11(5-7-23)28-12-3-2-10(8-20-12)16(17,18)19/h2-3,8,11H,4-7,9H2,1H3,(H2,21,22,24,25)/t15-/m1/s1
InChIKeyBUIQIPOWCYDCBN-OAHLLOKOSA-N
MW436.41 g/mol
LogP0.87
Rot. Bonds5

About (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 59794449) has the molecular formula C16H19F3N4O5S and a molecular weight of 436.41 g/mol. Its IUPAC name is (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID59794449
Molecular FormulaC16H19F3N4O5S
Molecular Weight436.41 g/mol
Exact Mass436.10
IUPAC Name(5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H19F3N4O5S/c1-15(13(24)21-14(25)22-15)9-29(26,27)23-6-4-11(5-7-23)28-12-3-2-10(8-20-12)16(17,18)19/h2-3,8,11H,4-7,9H2,1H3,(H2,21,22,24,25)/t15-/m1/s1
InChIKeyBUIQIPOWCYDCBN-OAHLLOKOSA-N
XLogP0.87
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 59794449) is (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is BUIQIPOWCYDCBN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19F3N4O5S/c1-15(13(24)21-14(25)22-15)9-29(26,27)23-6-4-11(5-7-23)28-12-3-2-10(8-20-12)16(17,18)19/h2-3,8,11H,4-7,9H2,1H3,(H2,21,22,24,25)/t15-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 436.41 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59794449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).