8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane

C9H17NO2S — CID 161386936

IUPAC8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane
SMILESCS(=O)(=O)CC1C2CCC1CNC2
InChIInChI=1S/C9H17NO2S/c1-13(11,12)6-9-7-2-3-8(9)5-10-4-7/h7-10H,2-6H2,1H3
InChIKeyVSLZMOOIIXQLOB-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.28
Rot. Bonds2

About 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane

8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane (PubChem CID 161386936) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane
PubChem CID161386936
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane
SMILESCS(=O)(=O)CC1C2CCC1CNC2
InChIInChI=1S/C9H17NO2S/c1-13(11,12)6-9-7-2-3-8(9)5-10-4-7/h7-10H,2-6H2,1H3
InChIKeyVSLZMOOIIXQLOB-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(methylsulfonylmethyl)pyrrolidine
CID 124510073
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
5-(methylsulfonylmethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 82843470
2-[(1R,5R)-3-azabicyclo[3.2.1]octan-8-yl]ethanol
CID 98454456
(1S,5R)-8-methyl-3-azabicyclo[3.2.1]octane
CID 139316349
4-(methylsulfonylmethyl)azepane
CID 170910432
(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine
CID 155290058
ethane;8-methyl-3-azabicyclo[3.2.1]octane
CID 155722306
3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine
CID 105452015
1-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681509
4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
CID 158767557
8-methoxy-3-azabicyclo[3.2.1]octane
CID 78149445

Frequently Asked Questions

What is the IUPAC name of 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane (CID 161386936) is 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane is CS(=O)(=O)CC1C2CCC1CNC2.
What is the InChIKey of 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane?
The InChIKey is VSLZMOOIIXQLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13(11,12)6-9-7-2-3-8(9)5-10-4-7/h7-10H,2-6H2,1H3.
What are the key properties of 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane?
8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane has a molecular weight of 203.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 161386936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).