3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C13H22N2O4S — CID 64872741

IUPAC3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C13H22N2O4S/c1-10-11(16)15(8-9-20(2,18)19)13(12(17)14-10)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeySLSVFILERKZXGS-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.08
Rot. Bonds3

About 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64872741) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64872741
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C13H22N2O4S/c1-10-11(16)15(8-9-20(2,18)19)13(12(17)14-10)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeySLSVFILERKZXGS-UHFFFAOYSA-N
XLogP0.08
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione 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 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64872741) is 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1NC(=O)C2(CCCCC2)N(CCS(C)(=O)=O)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is SLSVFILERKZXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10-11(16)15(8-9-20(2,18)19)13(12(17)14-10)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 302.40 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64872741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).