(5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

C19H24F3N3O6S — CID 11569185

IUPAC(5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCCC(F)(F)F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H24F3N3O6S/c1-18(16(26)23-17(27)24-18)12-32(28,29)25-9-6-15(7-10-25)31-14-4-2-13(3-5-14)30-11-8-19(20,21)22/h2-5,15H,6-12H2,1H3,(H2,23,24,26,27)/t18-/m1/s1
InChIKeyZVFKJDDERIYYSN-GOSISDBHSA-N
MW479.48 g/mol
LogP1.79
Rot. Bonds8

About (5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 11569185) has the molecular formula C19H24F3N3O6S and a molecular weight of 479.48 g/mol. Its IUPAC name is (5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID11569185
Molecular FormulaC19H24F3N3O6S
Molecular Weight479.48 g/mol
Exact Mass479.13
IUPAC Name(5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCCC(F)(F)F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H24F3N3O6S/c1-18(16(26)23-17(27)24-18)12-32(28,29)25-9-6-15(7-10-25)31-14-4-2-13(3-5-14)30-11-8-19(20,21)22/h2-5,15H,6-12H2,1H3,(H2,23,24,26,27)/t18-/m1/s1
InChIKeyZVFKJDDERIYYSN-GOSISDBHSA-N
XLogP1.79
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 51.79
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-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 11569185) is (5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCCC(F)(F)F)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is ZVFKJDDERIYYSN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24F3N3O6S/c1-18(16(26)23-17(27)24-18)12-32(28,29)25-9-6-15(7-10-25)31-14-4-2-13(3-5-14)30-11-8-19(20,21)22/h2-5,15H,6-12H2,1H3,(H2,23,24,26,27)/t18-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 479.48 g/mol, XLogP of 1.79, 8 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-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11569185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).