8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide

C7H14N2O2S — CID 118373745

IUPAC8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide
SMILESCC1CNC2CCS(=O)(=O)N1C2
InChIInChI=1S/C7H14N2O2S/c1-6-4-8-7-2-3-12(10,11)9(6)5-7/h6-8H,2-5H2,1H3
InChIKeyIAVAFMHONYCKTQ-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.62
Rot. Bonds

About 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide

8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide (PubChem CID 118373745) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide.

Molecular Properties

Compound Name8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide
PubChem CID118373745
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide
SMILESCC1CNC2CCS(=O)(=O)N1C2
InChIInChI=1S/C7H14N2O2S/c1-6-4-8-7-2-3-12(10,11)9(6)5-7/h6-8H,2-5H2,1H3
InChIKeyIAVAFMHONYCKTQ-UHFFFAOYSA-N
XLogP-0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide?
The IUPAC name of 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide (CID 118373745) is 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide.
What is the SMILES notation for 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide?
The canonical SMILES for 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide is CC1CNC2CCS(=O)(=O)N1C2.
What is the InChIKey of 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide?
The InChIKey is IAVAFMHONYCKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6-4-8-7-2-3-12(10,11)9(6)5-7/h6-8H,2-5H2,1H3.
What are the key properties of 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide?
8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide has a molecular weight of 190.27 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide is sourced from PubChem (CID 118373745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).