1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one

C13H24N2O3S — CID 131919566

IUPAC1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(CS(C)(=O)=O)N1CCC2(CCC(=O)N2C)CC1
InChIInChI=1S/C13H24N2O3S/c1-11(10-19(3,17)18)15-8-6-13(7-9-15)5-4-12(16)14(13)2/h11H,4-10H2,1-3H3
InChIKeyPRRYGKYUQKKAHG-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.51
Rot. Bonds3

About 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one

1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131919566) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131919566
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(CS(C)(=O)=O)N1CCC2(CCC(=O)N2C)CC1
InChIInChI=1S/C13H24N2O3S/c1-11(10-19(3,17)18)15-8-6-13(7-9-15)5-4-12(16)14(13)2/h11H,4-10H2,1-3H3
InChIKeyPRRYGKYUQKKAHG-UHFFFAOYSA-N
XLogP0.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 131919566) is 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one is CC(CS(C)(=O)=O)N1CCC2(CCC(=O)N2C)CC1.
What is the InChIKey of 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PRRYGKYUQKKAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-11(10-19(3,17)18)15-8-6-13(7-9-15)5-4-12(16)14(13)2/h11H,4-10H2,1-3H3.
What are the key properties of 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 288.41 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(1-methylsulfonylpropan-2-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131919566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).