6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide

C6H11NO2S — CID 121425558

IUPAC6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide
SMILESCN1C2CC1CS(=O)(=O)C2
InChIInChI=1S/C6H11NO2S/c1-7-5-2-6(7)4-10(8,9)3-5/h5-6H,2-4H2,1H3
InChIKeyJMCSZBBTTOUWTK-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.51
Rot. Bonds

About 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide

6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide (PubChem CID 121425558) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide.

Molecular Properties

Compound Name6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide
PubChem CID121425558
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide
SMILESCN1C2CC1CS(=O)(=O)C2
InChIInChI=1S/C6H11NO2S/c1-7-5-2-6(7)4-10(8,9)3-5/h5-6H,2-4H2,1H3
InChIKeyJMCSZBBTTOUWTK-UHFFFAOYSA-N
XLogP-0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide?
The IUPAC name of 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide (CID 121425558) is 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide.
What is the SMILES notation for 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide?
The canonical SMILES for 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide is CN1C2CC1CS(=O)(=O)C2.
What is the InChIKey of 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide?
The InChIKey is JMCSZBBTTOUWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-7-5-2-6(7)4-10(8,9)3-5/h5-6H,2-4H2,1H3.
What are the key properties of 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide?
6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide has a molecular weight of 161.23 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide is sourced from PubChem (CID 121425558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).