2-sulfonyl-1-azabicyclo[3.2.1]octane

C7H11NO2S — CID 87396402

IUPAC2-sulfonyl-1-azabicyclo[3.2.1]octane
SMILESO=S(=O)=C1CCC2CCN1C2
InChIInChI=1S/C7H11NO2S/c9-11(10)7-2-1-6-3-4-8(7)5-6/h6H,1-5H2
InChIKeyGPOWRRDGKAJJNS-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.11
Rot. Bonds

About 2-sulfonyl-1-azabicyclo[3.2.1]octane

2-sulfonyl-1-azabicyclo[3.2.1]octane (PubChem CID 87396402) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-sulfonyl-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-sulfonyl-1-azabicyclo[3.2.1]octane
PubChem CID87396402
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-sulfonyl-1-azabicyclo[3.2.1]octane
SMILESO=S(=O)=C1CCC2CCN1C2
InChIInChI=1S/C7H11NO2S/c9-11(10)7-2-1-6-3-4-8(7)5-6/h6H,1-5H2
InChIKeyGPOWRRDGKAJJNS-UHFFFAOYSA-N
XLogP0.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfonyl-1-azabicyclo[3.2.1]octane?
The IUPAC name of 2-sulfonyl-1-azabicyclo[3.2.1]octane (CID 87396402) is 2-sulfonyl-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-sulfonyl-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-sulfonyl-1-azabicyclo[3.2.1]octane is O=S(=O)=C1CCC2CCN1C2.
What is the InChIKey of 2-sulfonyl-1-azabicyclo[3.2.1]octane?
The InChIKey is GPOWRRDGKAJJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-11(10)7-2-1-6-3-4-8(7)5-6/h6H,1-5H2.
What are the key properties of 2-sulfonyl-1-azabicyclo[3.2.1]octane?
2-sulfonyl-1-azabicyclo[3.2.1]octane has a molecular weight of 173.24 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonyl-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 87396402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).