(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

C16H20FN3O5S — CID 59794423

IUPAC(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H20FN3O5S/c1-16(14(21)18-15(22)19-16)10-26(23,24)20-8-6-13(7-9-20)25-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,21,22)/t16-/m1/s1
InChIKeyNCROEDXPKVIJMH-MRXNPFEDSA-N
MW385.42 g/mol
LogP0.60
Rot. Bonds5

About (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 59794423) has the molecular formula C16H20FN3O5S and a molecular weight of 385.42 g/mol. Its IUPAC name is (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID59794423
Molecular FormulaC16H20FN3O5S
Molecular Weight385.42 g/mol
Exact Mass385.11
IUPAC Name(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H20FN3O5S/c1-16(14(21)18-15(22)19-16)10-26(23,24)20-8-6-13(7-9-20)25-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,21,22)/t16-/m1/s1
InChIKeyNCROEDXPKVIJMH-MRXNPFEDSA-N
XLogP0.60
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Azd6605
CID 11641563
(5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 71814688
(5S)-5-methyl-5-[({4-[4-(2,2,3,3,3-pentafluoropropoxy)phenoxy]-piperidin-1-yl}sulphonyl)methyl]imidazolidine-2,4-dione
CID 11519157
(5S)-5-methyl-5-[[4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 11583525
(5S)-5-methyl-5-[({4-[4-(2,2,3,3-tetrafluoropropoxy)phenoxy]-piperidin-1-yl}sulphonyl)methyl]imidazolidine-2,4-dione
CID 11605689
(5S)-5-Methyl-5-[[4-[4-(perfluoroethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 11656290
(5S)-5-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794408
(5S)-5-[[[4-(4-Chlorophenoxy)-1-piperidinyl]sulfonyl]methyl]-5-methyl-2,4-imidazolidinedione
CID 59794437
(5S)-5-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794447
(5S)-5-methyl-5-[[4-[4-(3,3,3-trifluoropropoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 11569185
(5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 71814508
(5S)-5-[[4-[4-[(4-methoxyphenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 71814686

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 59794423) is (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NCROEDXPKVIJMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20FN3O5S/c1-16(14(21)18-15(22)19-16)10-26(23,24)20-8-6-13(7-9-20)25-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,21,22)/t16-/m1/s1.
What are the key properties of (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 385.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59794423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).