N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide

C13H19N3O2S — CID 61232982

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H19N3O2S/c1-16(12-7-10-4-5-11(8-12)15-10)19(17,18)13-3-2-6-14-9-13/h2-3,6,9-12,15H,4-5,7-8H2,1H3
InChIKeyXSRCFHLFKINEKO-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.99
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 61232982) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide
PubChem CID61232982
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H19N3O2S/c1-16(12-7-10-4-5-11(8-12)15-10)19(17,18)13-3-2-6-14-9-13/h2-3,6,9-12,15H,4-5,7-8H2,1H3
InChIKeyXSRCFHLFKINEKO-UHFFFAOYSA-N
XLogP0.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide (CID 61232982) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide is CN(C1CC2CCC(C1)N2)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is XSRCFHLFKINEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-16(12-7-10-4-5-11(8-12)15-10)19(17,18)13-3-2-6-14-9-13/h2-3,6,9-12,15H,4-5,7-8H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61232982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).