3-methylsulfonyl-3-azabicyclo[3.3.1]nonane

C9H17NO2S — CID 130479813

IUPAC3-methylsulfonyl-3-azabicyclo[3.3.1]nonane
SMILESCS(=O)(=O)N1CC2CCCC(C2)C1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)10-6-8-3-2-4-9(5-8)7-10/h8-9H,2-7H2,1H3
InChIKeyRLCGYQCVTHOCHO-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.07
Rot. Bonds1

About 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane

3-methylsulfonyl-3-azabicyclo[3.3.1]nonane (PubChem CID 130479813) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methylsulfonyl-3-azabicyclo[3.3.1]nonane
PubChem CID130479813
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-methylsulfonyl-3-azabicyclo[3.3.1]nonane
SMILESCS(=O)(=O)N1CC2CCCC(C2)C1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)10-6-8-3-2-4-9(5-8)7-10/h8-9H,2-7H2,1H3
InChIKeyRLCGYQCVTHOCHO-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane (CID 130479813) is 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane is CS(=O)(=O)N1CC2CCCC(C2)C1.
What is the InChIKey of 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane?
The InChIKey is RLCGYQCVTHOCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13(11,12)10-6-8-3-2-4-9(5-8)7-10/h8-9H,2-7H2,1H3.
What are the key properties of 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane?
3-methylsulfonyl-3-azabicyclo[3.3.1]nonane has a molecular weight of 203.31 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 130479813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).