2-azabicyclo[2.2.1]heptane-2-sulfonamide

C6H12N2O2S — CID 61067967

IUPAC2-azabicyclo[2.2.1]heptane-2-sulfonamide
SMILESNS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C6H12N2O2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2,(H2,7,9,10)
InChIKeyCJKSXODBQZXSSL-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.33
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptane-2-sulfonamide

2-azabicyclo[2.2.1]heptane-2-sulfonamide (PubChem CID 61067967) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane-2-sulfonamide.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane-2-sulfonamide
PubChem CID61067967
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name2-azabicyclo[2.2.1]heptane-2-sulfonamide
SMILESNS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C6H12N2O2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2,(H2,7,9,10)
InChIKeyCJKSXODBQZXSSL-UHFFFAOYSA-N
XLogP-0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The IUPAC name of 2-azabicyclo[2.2.1]heptane-2-sulfonamide (CID 61067967) is 2-azabicyclo[2.2.1]heptane-2-sulfonamide.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane-2-sulfonamide is NS(=O)(=O)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The InChIKey is CJKSXODBQZXSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2,(H2,7,9,10).
What are the key properties of 2-azabicyclo[2.2.1]heptane-2-sulfonamide?
2-azabicyclo[2.2.1]heptane-2-sulfonamide has a molecular weight of 176.24 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane-2-sulfonamide is sourced from PubChem (CID 61067967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).