6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide

C12H18N4O2S — CID 115314754

IUPAC6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC3CCC(C2)N3)nc1
InChIInChI=1S/C12H18N4O2S/c13-19(17,18)11-3-4-12(14-7-11)16-6-5-9-1-2-10(8-16)15-9/h3-4,7,9-10,15H,1-2,5-6,8H2,(H2,13,17,18)
InChIKeyBGCREQPLENANHL-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.06
Rot. Bonds2

About 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide

6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide (PubChem CID 115314754) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide
PubChem CID115314754
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC3CCC(C2)N3)nc1
InChIInChI=1S/C12H18N4O2S/c13-19(17,18)11-3-4-12(14-7-11)16-6-5-9-1-2-10(8-16)15-9/h3-4,7,9-10,15H,1-2,5-6,8H2,(H2,13,17,18)
InChIKeyBGCREQPLENANHL-UHFFFAOYSA-N
XLogP0.06
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314677
6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 63267802
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-fluorobenzenesulfonamide
CID 115314626
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]pyridine-3-sulfonamide
CID 102683920
(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 59535791
3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115314620
6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
CID 17421706
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-sulfonic acid
CID 87659829
(1S,6R)-3-(6-chloro-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 87827418
3-(4-propylsulfonylphenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314595
(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130

Frequently Asked Questions

What is the IUPAC name of 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide (CID 115314754) is 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(N2CCC3CCC(C2)N3)nc1.
What is the InChIKey of 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide?
The InChIKey is BGCREQPLENANHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-19(17,18)11-3-4-12(14-7-11)16-6-5-9-1-2-10(8-16)15-9/h3-4,7,9-10,15H,1-2,5-6,8H2,(H2,13,17,18).
What are the key properties of 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide?
6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115314754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).