6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide

C12H18N4O2S — CID 62143661

IUPAC6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CN3CCC2CC3)cn1
InChIInChI=1S/C12H18N4O2S/c13-12-2-1-10(7-14-12)19(17,18)15-11-8-16-5-3-9(11)4-6-16/h1-2,7,9,11,15H,3-6,8H2,(H2,13,14)
InChIKeyPFDSJODLJNUNMX-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.04
Rot. Bonds3

About 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide

6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide (PubChem CID 62143661) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide
PubChem CID62143661
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CN3CCC2CC3)cn1
InChIInChI=1S/C12H18N4O2S/c13-12-2-1-10(7-14-12)19(17,18)15-11-8-16-5-3-9(11)4-6-16/h1-2,7,9,11,15H,3-6,8H2,(H2,13,14)
InChIKeyPFDSJODLJNUNMX-UHFFFAOYSA-N
XLogP0.04
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-cyclobutylpyridine-3-sulfonamide
CID 62414646
6-amino-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 63279308
6-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64909491
6-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 62159349
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 62143492
6-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872588
6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62156782
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine
CID 62147207
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chlorobenzenesulfonamide
CID 43102600
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,6-dimethylbenzenesulfonamide
CID 43257654
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylbenzenesulfonamide
CID 43101359
6-amino-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79352951

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide (CID 62143661) is 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide is Nc1ccc(S(=O)(=O)NC2CN3CCC2CC3)cn1.
What is the InChIKey of 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide?
The InChIKey is PFDSJODLJNUNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-12-2-1-10(7-14-12)19(17,18)15-11-8-16-5-3-9(11)4-6-16/h1-2,7,9,11,15H,3-6,8H2,(H2,13,14).
What are the key properties of 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide?
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62143661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).