4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one

C11H19N3O3S — CID 138389423

IUPAC4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCS(=O)(=O)CC2
InChIInChI=1S/C11H19N3O3S/c1-8(2)7-14-10(15)13-9(12)11(14)3-5-18(16,17)6-4-11/h8H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyDGCGVGCRNBYYAB-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.59
Rot. Bonds2

About 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one

4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138389423) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138389423
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCS(=O)(=O)CC2
InChIInChI=1S/C11H19N3O3S/c1-8(2)7-14-10(15)13-9(12)11(14)3-5-18(16,17)6-4-11/h8H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyDGCGVGCRNBYYAB-UHFFFAOYSA-N
XLogP0.59
TPSA90.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388776
4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one
CID 138389607
4-imino-8-methyl-1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]nonan-2-one
CID 138389417
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388328
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
7-fluoro-4'-imino-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138391458
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
CID 138391371
1-cyclopropyl-4-imino-8-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
CID 138389214

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one (CID 138389423) is 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C12CCS(=O)(=O)CC2.
What is the InChIKey of 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is DGCGVGCRNBYYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8(2)7-14-10(15)13-9(12)11(14)3-5-18(16,17)6-4-11/h8H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one?
4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 273.36 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138389423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).