2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide

C11H21NO2S — CID 21394500

IUPAC2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide
SMILESCC1(C)CS(=O)(=O)CC2(CCCCC2)N1
InChIInChI=1S/C11H21NO2S/c1-10(2)8-15(13,14)9-11(12-10)6-4-3-5-7-11/h12H,3-9H2,1-2H3
InChIKeyURALBIKJUMVAPJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.49
Rot. Bonds

About 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide

2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide (PubChem CID 21394500) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide
PubChem CID21394500
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide
SMILESCC1(C)CS(=O)(=O)CC2(CCCCC2)N1
InChIInChI=1S/C11H21NO2S/c1-10(2)8-15(13,14)9-11(12-10)6-4-3-5-7-11/h12H,3-9H2,1-2H3
InChIKeyURALBIKJUMVAPJ-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide?
The IUPAC name of 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide (CID 21394500) is 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide.
What is the SMILES notation for 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide?
The canonical SMILES for 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide is CC1(C)CS(=O)(=O)CC2(CCCCC2)N1.
What is the InChIKey of 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide?
The InChIKey is URALBIKJUMVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10(2)8-15(13,14)9-11(12-10)6-4-3-5-7-11/h12H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide?
2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide has a molecular weight of 231.36 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4λ6-thia-1-azaspiro[5.5]undecane 4,4-dioxide is sourced from PubChem (CID 21394500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).