N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide

C13H20N4O2S — CID 62143492

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NC2CN3CCC2CC3)ccn1
InChIInChI=1S/C13H20N4O2S/c1-14-13-8-11(2-5-15-13)20(18,19)16-12-9-17-6-3-10(12)4-7-17/h2,5,8,10,12,16H,3-4,6-7,9H2,1H3,(H,14,15)
InChIKeyAMMKGVCPIIZKJT-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.50
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62143492) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62143492
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NC2CN3CCC2CC3)ccn1
InChIInChI=1S/C13H20N4O2S/c1-14-13-8-11(2-5-15-13)20(18,19)16-12-9-17-6-3-10(12)4-7-17/h2,5,8,10,12,16H,3-4,6-7,9H2,1H3,(H,14,15)
InChIKeyAMMKGVCPIIZKJT-UHFFFAOYSA-N
XLogP0.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide (CID 62143492) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NC2CN3CCC2CC3)ccn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is AMMKGVCPIIZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-14-13-8-11(2-5-15-13)20(18,19)16-12-9-17-6-3-10(12)4-7-17/h2,5,8,10,12,16H,3-4,6-7,9H2,1H3,(H,14,15).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62143492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).