6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide

C14H22N4O2S — CID 61232507

IUPAC6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide
SMILESCCN(c1ccc(S(N)(=O)=O)cn1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4O2S/c1-2-18(12-7-10-3-4-11(8-12)17-10)14-6-5-13(9-16-14)21(15,19)20/h5-6,9-12,17H,2-4,7-8H2,1H3,(H2,15,19,20)
InChIKeyGPUHSLUDCSDHPC-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.84
Rot. Bonds4

About 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide

6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide (PubChem CID 61232507) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide
PubChem CID61232507
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide
SMILESCCN(c1ccc(S(N)(=O)=O)cn1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N4O2S/c1-2-18(12-7-10-3-4-11(8-12)17-10)14-6-5-13(9-16-14)21(15,19)20/h5-6,9-12,17H,2-4,7-8H2,1H3,(H2,15,19,20)
InChIKeyGPUHSLUDCSDHPC-UHFFFAOYSA-N
XLogP0.84
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide (CID 61232507) is 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide is CCN(c1ccc(S(N)(=O)=O)cn1)C1CC2CCC(C1)N2.
What is the InChIKey of 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide?
The InChIKey is GPUHSLUDCSDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-18(12-7-10-3-4-11(8-12)17-10)14-6-5-13(9-16-14)21(15,19)20/h5-6,9-12,17H,2-4,7-8H2,1H3,(H2,15,19,20).
What are the key properties of 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide?
6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 61232507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).