3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane

C13H25NO2S — CID 62865487

IUPAC3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane
SMILESCC(C)S(=O)(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H25NO2S/c1-12(2)17(15,16)14-10-8-13(9-11-14)6-4-3-5-7-13/h12H,3-11H2,1-2H3
InChIKeyYKNVVQHSOIJPQZ-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.77
Rot. Bonds2

About 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane

3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane (PubChem CID 62865487) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane
PubChem CID62865487
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane
SMILESCC(C)S(=O)(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H25NO2S/c1-12(2)17(15,16)14-10-8-13(9-11-14)6-4-3-5-7-13/h12H,3-11H2,1-2H3
InChIKeyYKNVVQHSOIJPQZ-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-ylsulfonyl-3-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 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane?
The IUPAC name of 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane (CID 62865487) is 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane is CC(C)S(=O)(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane?
The InChIKey is YKNVVQHSOIJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-12(2)17(15,16)14-10-8-13(9-11-14)6-4-3-5-7-13/h12H,3-11H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane?
3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane has a molecular weight of 259.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 62865487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).