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

C12H20N2O4S — CID 91923752

IUPAC4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-9(2)11(16)14-6-4-12(5-7-14)13(3)10(15)8-19(12,17)18/h9H,4-8H2,1-3H3
InChIKeyFYYRPYDENNYBNT-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.15
Rot. Bonds1

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

4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923752) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923752
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-9(2)11(16)14-6-4-12(5-7-14)13(3)10(15)8-19(12,17)18/h9H,4-8H2,1-3H3
InChIKeyFYYRPYDENNYBNT-UHFFFAOYSA-N
XLogP-0.15
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923752) is 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CC(C)C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O.
What is the InChIKey of 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FYYRPYDENNYBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-9(2)11(16)14-6-4-12(5-7-14)13(3)10(15)8-19(12,17)18/h9H,4-8H2,1-3H3.
What are the key properties of 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 288.37 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(2-methylpropanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).