8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H19N3O3S — CID 63770383

IUPAC8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNc1ccc(S(=O)(=O)N2C3CCC2CC(O)C3)cn1
InChIInChI=1S/C13H19N3O3S/c1-14-13-5-4-12(8-15-13)20(18,19)16-9-2-3-10(16)7-11(17)6-9/h4-5,8-11,17H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyARQDQFGENFYHSY-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.80
Rot. Bonds3

About 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770383) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770383
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCNc1ccc(S(=O)(=O)N2C3CCC2CC(O)C3)cn1
InChIInChI=1S/C13H19N3O3S/c1-14-13-5-4-12(8-15-13)20(18,19)16-9-2-3-10(16)7-11(17)6-9/h4-5,8-11,17H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyARQDQFGENFYHSY-UHFFFAOYSA-N
XLogP0.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63770383) is 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol is CNc1ccc(S(=O)(=O)N2C3CCC2CC(O)C3)cn1.
What is the InChIKey of 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ARQDQFGENFYHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-14-13-5-4-12(8-15-13)20(18,19)16-9-2-3-10(16)7-11(17)6-9/h4-5,8-11,17H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 297.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).