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

C13H22N2O4S — CID 91923749

IUPAC4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C13H22N2O4S/c1-10(2)8-11(16)15-6-4-13(5-7-15)14(3)12(17)9-20(13,18)19/h10H,4-9H2,1-3H3
InChIKeyUFYAKNYMMGRRQQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.24
Rot. Bonds2

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

4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923749) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923749
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C13H22N2O4S/c1-10(2)8-11(16)15-6-4-13(5-7-15)14(3)12(17)9-20(13,18)19/h10H,4-9H2,1-3H3
InChIKeyUFYAKNYMMGRRQQ-UHFFFAOYSA-N
XLogP0.24
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923749) is 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CC(C)CC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O.
What is the InChIKey of 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UFYAKNYMMGRRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10(2)8-11(16)15-6-4-13(5-7-15)14(3)12(17)9-20(13,18)19/h10H,4-9H2,1-3H3.
What are the key properties of 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 302.40 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(3-methylbutanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).