(5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

C15H19ClN4O5S — CID 16738834

IUPAC(5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m0/s1
InChIKeySFJFBTPHDHUUPU-HNNXBMFYSA-N
MW402.86 g/mol
LogP0.51
Rot. Bonds5

About (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 16738834) has the molecular formula C15H19ClN4O5S and a molecular weight of 402.86 g/mol. Its IUPAC name is (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID16738834
Molecular FormulaC15H19ClN4O5S
Molecular Weight402.86 g/mol
Exact Mass402.08
IUPAC Name(5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m0/s1
InChIKeySFJFBTPHDHUUPU-HNNXBMFYSA-N
XLogP0.51
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Azd-1236
CID 24751752
(5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 71814857
(5S)-5-methyl-5-[[4-[4-(pyridin-3-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 71814858
(5S)-5-methyl-5-[[4-[4-(pyridin-2-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 71814859
AZD-1236 (racemic)
CID 23133467
5-[[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 23133515
5-[[4-(5-Chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-(piperidin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 23133600
(5S)-5-methyl-5-[[4-[5-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794449
5-[[4-(5-Chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 66850744
[5-[[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-2,4-dioxo-5-(piperidin-4-ylmethyl)imidazolidin-1-yl] 2,2,2-trifluoroacetate
CID 66850786
5-(3-Aminopropyl)-5-[({4-[(5-chloropyridin-2-yl)oxy]piperidin-1-yl} sulfonyl)methyl] imidazolidine-2,4-dione trifluoroacetic acid
CID 66851209
[5-(3-Aminopropyl)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-2,4-dioxoimidazolidin-1-yl] 2,2,2-trifluoroacetate
CID 66851211

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 16738834) is (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is SFJFBTPHDHUUPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m0/s1.
What are the key properties of (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 402.86 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 16738834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).