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

C14H24N2O4S — CID 91923775

IUPAC8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC(C)(C)C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-5-13(2,3)12(18)16-8-6-14(7-9-16)15(4)11(17)10-21(14,19)20/h5-10H2,1-4H3
InChIKeyNXLMRGXHCHWEDR-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.63
Rot. Bonds2

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

8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923775) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923775
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC(C)(C)C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-5-13(2,3)12(18)16-8-6-14(7-9-16)15(4)11(17)10-21(14,19)20/h5-10H2,1-4H3
InChIKeyNXLMRGXHCHWEDR-UHFFFAOYSA-N
XLogP0.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923775) is 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CCC(C)(C)C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O.
What is the InChIKey of 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NXLMRGXHCHWEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-13(2,3)12(18)16-8-6-14(7-9-16)15(4)11(17)10-21(14,19)20/h5-10H2,1-4H3.
What are the key properties of 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 316.42 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylbutanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).