4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C13H22N2O2S — CID 18738817

IUPAC4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC(=O)CC1SC2(CCN(C)CC2)N(C)C1=O
InChIInChI=1S/C13H22N2O2S/c1-4-10(16)9-11-12(17)15(3)13(18-11)5-7-14(2)8-6-13/h11H,4-9H2,1-3H3
InChIKeyLNEPFRIZBYDKAD-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.35
Rot. Bonds3

About 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 18738817) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID18738817
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC(=O)CC1SC2(CCN(C)CC2)N(C)C1=O
InChIInChI=1S/C13H22N2O2S/c1-4-10(16)9-11-12(17)15(3)13(18-11)5-7-14(2)8-6-13/h11H,4-9H2,1-3H3
InChIKeyLNEPFRIZBYDKAD-UHFFFAOYSA-N
XLogP1.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 18738817) is 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCC(=O)CC1SC2(CCN(C)CC2)N(C)C1=O.
What is the InChIKey of 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is LNEPFRIZBYDKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-10(16)9-11-12(17)15(3)13(18-11)5-7-14(2)8-6-13/h11H,4-9H2,1-3H3.
What are the key properties of 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 270.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-(2-oxobutyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 18738817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).