N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C16H25N3O5S — CID 91892528

IUPACN-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC1
InChIInChI=1S/C16H25N3O5S/c1-11-2-4-12(5-3-11)17-13(20)10-19-14(21)16(18-15(19)22)6-8-25(23,24)9-7-16/h11-12H,2-10H2,1H3,(H,17,20)(H,18,22)
InChIKeyFEECIXILUXFRIK-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.18
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 91892528) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID91892528
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC1
InChIInChI=1S/C16H25N3O5S/c1-11-2-4-12(5-3-11)17-13(20)10-19-14(21)16(18-15(19)22)6-8-25(23,24)9-7-16/h11-12H,2-10H2,1H3,(H,17,20)(H,18,22)
InChIKeyFEECIXILUXFRIK-UHFFFAOYSA-N
XLogP0.18
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 7043957
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2708847
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2503024
N-(4-methylcyclohexyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7043971
N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7043970
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180879
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7043085
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119450197
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide
CID 7771871
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylcyclohexyl)acetamide
CID 17433534

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 91892528) is N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is FEECIXILUXFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-11-2-4-12(5-3-11)17-13(20)10-19-14(21)16(18-15(19)22)6-8-25(23,24)9-7-16/h11-12H,2-10H2,1H3,(H,17,20)(H,18,22).
What are the key properties of N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 91892528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).