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

C14H24N2O4S — CID 91923766

IUPAC4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-11(2)4-5-12(17)16-8-6-14(7-9-16)15(3)13(18)10-21(14,19)20/h11H,4-10H2,1-3H3
InChIKeyDJXAYLHFOCZCTM-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.63
Rot. Bonds3

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

4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923766) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923766
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-11(2)4-5-12(17)16-8-6-14(7-9-16)15(3)13(18)10-21(14,19)20/h11H,4-10H2,1-3H3
InChIKeyDJXAYLHFOCZCTM-UHFFFAOYSA-N
XLogP0.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923766) is 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CC(C)CCC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O.
What is the InChIKey of 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DJXAYLHFOCZCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11(2)4-5-12(17)16-8-6-14(7-9-16)15(3)13(18)10-21(14,19)20/h11H,4-10H2,1-3H3.
What are the key properties of 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-8-(4-methylpentanoyl)-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, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).