5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide

C11H21NO2S — CID 66233999

IUPAC5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide
SMILESCC1CCS(=O)(=O)C2CCCCCC2N1
InChIInChI=1S/C11H21NO2S/c1-9-7-8-15(13,14)11-6-4-2-3-5-10(11)12-9/h9-12H,2-8H2,1H3
InChIKeyAJDWGDLHPUNYPN-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.48
Rot. Bonds

About 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide

5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide (PubChem CID 66233999) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide.

Molecular Properties

Compound Name5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide
PubChem CID66233999
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide
SMILESCC1CCS(=O)(=O)C2CCCCCC2N1
InChIInChI=1S/C11H21NO2S/c1-9-7-8-15(13,14)11-6-4-2-3-5-10(11)12-9/h9-12H,2-8H2,1H3
InChIKeyAJDWGDLHPUNYPN-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide?
The IUPAC name of 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide (CID 66233999) is 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide.
What is the SMILES notation for 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide?
The canonical SMILES for 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide is CC1CCS(=O)(=O)C2CCCCCC2N1.
What is the InChIKey of 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide?
The InChIKey is AJDWGDLHPUNYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9-7-8-15(13,14)11-6-4-2-3-5-10(11)12-9/h9-12H,2-8H2,1H3.
What are the key properties of 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide?
5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide has a molecular weight of 231.36 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide is sourced from PubChem (CID 66233999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).