8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C12H20N2O4S — CID 91923785

IUPAC8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-3-4-10(15)14-7-5-12(6-8-14)13(2)11(16)9-19(12,17)18/h3-9H2,1-2H3
InChIKeyHBEFYCVQBVEWFG-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.01
Rot. Bonds2

About 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923785) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923785
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-3-4-10(15)14-7-5-12(6-8-14)13(2)11(16)9-19(12,17)18/h3-9H2,1-2H3
InChIKeyHBEFYCVQBVEWFG-UHFFFAOYSA-N
XLogP-0.01
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923785) is 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CCCC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O.
What is the InChIKey of 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is HBEFYCVQBVEWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-3-4-10(15)14-7-5-12(6-8-14)13(2)11(16)9-19(12,17)18/h3-9H2,1-2H3.
What are the key properties of 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 288.37 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butanoyl-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).