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

C17H20F3N3O5S — CID 59794447

IUPAC(5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1
InChIKeyNZWCKNGEMCPIOP-MRXNPFEDSA-N
MW435.42 g/mol
LogP1.48
Rot. Bonds5

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

(5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 59794447) has the molecular formula C17H20F3N3O5S and a molecular weight of 435.42 g/mol. Its IUPAC name is (5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID59794447
Molecular FormulaC17H20F3N3O5S
Molecular Weight435.42 g/mol
Exact Mass435.11
IUPAC Name(5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1
InChIKeyNZWCKNGEMCPIOP-MRXNPFEDSA-N
XLogP1.48
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 59794447) is (5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is NZWCKNGEMCPIOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 435.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59794447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).