4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane

C12H23NO2S2 — CID 71976335

IUPAC4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane
SMILESCS(=O)(=O)CCN1CCSC2(CCCCC2)C1
InChIInChI=1S/C12H23NO2S2/c1-17(14,15)10-8-13-7-9-16-12(11-13)5-3-2-4-6-12/h2-11H2,1H3
InChIKeyVNCGXOXVPJHROV-UHFFFAOYSA-N
MW277.45 g/mol
LogP1.78
Rot. Bonds3

About 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane

4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane (PubChem CID 71976335) has the molecular formula C12H23NO2S2 and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane
PubChem CID71976335
Molecular FormulaC12H23NO2S2
Molecular Weight277.45 g/mol
Exact Mass277.12
IUPAC Name4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane
SMILESCS(=O)(=O)CCN1CCSC2(CCCCC2)C1
InChIInChI=1S/C12H23NO2S2/c1-17(14,15)10-8-13-7-9-16-12(11-13)5-3-2-4-6-12/h2-11H2,1H3
InChIKeyVNCGXOXVPJHROV-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane 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 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane?
The IUPAC name of 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane (CID 71976335) is 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane is CS(=O)(=O)CCN1CCSC2(CCCCC2)C1.
What is the InChIKey of 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane?
The InChIKey is VNCGXOXVPJHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S2/c1-17(14,15)10-8-13-7-9-16-12(11-13)5-3-2-4-6-12/h2-11H2,1H3.
What are the key properties of 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane?
4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane has a molecular weight of 277.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane is sourced from PubChem (CID 71976335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).