(5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

C23H30N4O5S — CID 10457618

IUPAC(5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC[C@]1(CS(=O)(=O)N2CCC(COCc3cc(C)nc4ccccc34)CC2)NC(=O)NC1=O
InChIInChI=1S/C23H30N4O5S/c1-3-23(21(28)25-22(29)26-23)15-33(30,31)27-10-8-17(9-11-27)13-32-14-18-12-16(2)24-20-7-5-4-6-19(18)20/h4-7,12,17H,3,8-11,13-15H2,1-2H3,(H2,25,26,28,29)/t23-/m1/s1
InChIKeyMXHWTPXELCYBKJ-HSZRJFAPSA-N
MW474.58 g/mol
LogP2.09
Rot. Bonds8

About (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

(5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 10457618) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID10457618
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name(5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC[C@]1(CS(=O)(=O)N2CCC(COCc3cc(C)nc4ccccc34)CC2)NC(=O)NC1=O
InChIInChI=1S/C23H30N4O5S/c1-3-23(21(28)25-22(29)26-23)15-33(30,31)27-10-8-17(9-11-27)13-32-14-18-12-16(2)24-20-7-5-4-6-19(18)20/h4-7,12,17H,3,8-11,13-15H2,1-2H3,(H2,25,26,28,29)/t23-/m1/s1
InChIKeyMXHWTPXELCYBKJ-HSZRJFAPSA-N
XLogP2.09
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.09
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-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 10457618) is (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is CC[C@]1(CS(=O)(=O)N2CCC(COCc3cc(C)nc4ccccc34)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is MXHWTPXELCYBKJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-3-23(21(28)25-22(29)26-23)15-33(30,31)27-10-8-17(9-11-27)13-32-14-18-12-16(2)24-20-7-5-4-6-19(18)20/h4-7,12,17H,3,8-11,13-15H2,1-2H3,(H2,25,26,28,29)/t23-/m1/s1.
What are the key properties of (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 474.58 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-[[4-[(2-methylquinolin-4-yl)methoxymethyl]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10457618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).