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

C15H19ClN4O5S — CID 24751752

IUPAC(5S)-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-/m1/s1
InChIKeySFJFBTPHDHUUPU-OAHLLOKOSA-N
MW402.86 g/mol
LogP0.51
Rot. Bonds5

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

(5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24751752) has the molecular formula C15H19ClN4O5S and a molecular weight of 402.86 g/mol. Its IUPAC name is (5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID24751752
Molecular FormulaC15H19ClN4O5S
Molecular Weight402.86 g/mol
Exact Mass402.08
IUPAC Name(5S)-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-/m1/s1
InChIKeySFJFBTPHDHUUPU-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 24751752) is (5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-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 (5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is SFJFBTPHDHUUPU-OAHLLOKOSA-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-/m1/s1.
What are the key properties of (5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
(5S)-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 (5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24751752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).