2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H36N6O5S — CID 55626242

IUPAC2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C21H36N6O5S/c1-24(17-8-4-2-5-9-17)33(31,32)26-14-12-25(13-15-26)16-18(28)23-27-19(29)21(22-20(27)30)10-6-3-7-11-21/h17H,2-16H2,1H3,(H,22,30)(H,23,28)
InChIKeyXOQHWTWGFQBGIN-UHFFFAOYSA-N
MW484.62 g/mol
LogP0.40
Rot. Bonds6

About 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55626242) has the molecular formula C21H36N6O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55626242
Molecular FormulaC21H36N6O5S
Molecular Weight484.62 g/mol
Exact Mass484.25
IUPAC Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C21H36N6O5S/c1-24(17-8-4-2-5-9-17)33(31,32)26-14-12-25(13-15-26)16-18(28)23-27-19(29)21(22-20(27)30)10-6-3-7-11-21/h17H,2-16H2,1H3,(H,22,30)(H,23,28)
InChIKeyXOQHWTWGFQBGIN-UHFFFAOYSA-N
XLogP0.40
TPSA122.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 50.40
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

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 46614028
N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55850667
4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
CID 17478998
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 86931069
N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
CID 55626303
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55625884
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 166190847
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-(4-phenylcyclohexyl)amino]acetamide
CID 47547029
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46405623
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 55625942
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27532874

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55626242) is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is XOQHWTWGFQBGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O5S/c1-24(17-8-4-2-5-9-17)33(31,32)26-14-12-25(13-15-26)16-18(28)23-27-19(29)21(22-20(27)30)10-6-3-7-11-21/h17H,2-16H2,1H3,(H,22,30)(H,23,28).
What are the key properties of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 484.62 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55626242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).