(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

C17H18N4O4S — CID 59794396

IUPAC(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CC=C(C#Cc3ccccn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H18N4O4S/c1-17(15(22)19-16(23)20-17)12-26(24,25)21-10-7-13(8-11-21)5-6-14-4-2-3-9-18-14/h2-4,7,9H,8,10-12H2,1H3,(H2,19,20,22,23)/t17-/m1/s1
InChIKeyUJOBERMWOZAGMZ-QGZVFWFLSA-N
MW374.42 g/mol
LogP-0.01
Rot. Bonds3

About (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 59794396) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID59794396
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CC=C(C#Cc3ccccn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H18N4O4S/c1-17(15(22)19-16(23)20-17)12-26(24,25)21-10-7-13(8-11-21)5-6-14-4-2-3-9-18-14/h2-4,7,9H,8,10-12H2,1H3,(H2,19,20,22,23)/t17-/m1/s1
InChIKeyUJOBERMWOZAGMZ-QGZVFWFLSA-N
XLogP-0.01
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-[[4-[2-(4-chlorophenyl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;(5S)-5-methyl-5-[[4-[2-(4-methylphenyl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione;(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 160879627
(5S)-5-methyl-5-[[4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 67351634
5-[[4-[2-[2-(dimethylamino)-4-pyridinyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 68877429
(5S)-5-[[4-[2-(2-methoxypyrimidin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 11553220
(5S)-5-methyl-5-[[4-[2-(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 25171835
5-methyl-5-[[4-[2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethynyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 68876824
N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide
CID 59794376
(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
CID 87512350
5-[[4-[(5-bromo-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133436
1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
CID 69288109
5-[2-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfinyl]-3,6-dihydro-2H-pyridin-4-yl]ethynyl]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 143741373
5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133451

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 59794396) is (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CC=C(C#Cc3ccccn3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is UJOBERMWOZAGMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-17(15(22)19-16(23)20-17)12-26(24,25)21-10-7-13(8-11-21)5-6-14-4-2-3-9-18-14/h2-4,7,9H,8,10-12H2,1H3,(H2,19,20,22,23)/t17-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[[4-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 374.42 g/mol, XLogP of -0.01, 3 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-(2-pyridin-2-ylethynyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59794396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).