6-(1-adamantylsulfanyl)pyridin-3-ol

C15H19NOS — CID 15133290

IUPAC6-(1-adamantylsulfanyl)pyridin-3-ol
SMILESOc1ccc(SC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C15H19NOS/c17-13-1-2-14(16-9-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12,17H,3-8H2
InChIKeyYMMXLVAOPXNXDA-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.85
Rot. Bonds2

About 6-(1-adamantylsulfanyl)pyridin-3-ol

6-(1-adamantylsulfanyl)pyridin-3-ol (PubChem CID 15133290) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-(1-adamantylsulfanyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(1-adamantylsulfanyl)pyridin-3-ol
PubChem CID15133290
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name6-(1-adamantylsulfanyl)pyridin-3-ol
SMILESOc1ccc(SC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C15H19NOS/c17-13-1-2-14(16-9-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12,17H,3-8H2
InChIKeyYMMXLVAOPXNXDA-UHFFFAOYSA-N
XLogP3.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantylsulfanyl)pyridin-3-ol?
The IUPAC name of 6-(1-adamantylsulfanyl)pyridin-3-ol (CID 15133290) is 6-(1-adamantylsulfanyl)pyridin-3-ol.
What is the SMILES notation for 6-(1-adamantylsulfanyl)pyridin-3-ol?
The canonical SMILES for 6-(1-adamantylsulfanyl)pyridin-3-ol is Oc1ccc(SC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 6-(1-adamantylsulfanyl)pyridin-3-ol?
The InChIKey is YMMXLVAOPXNXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-13-1-2-14(16-9-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12,17H,3-8H2.
What are the key properties of 6-(1-adamantylsulfanyl)pyridin-3-ol?
6-(1-adamantylsulfanyl)pyridin-3-ol has a molecular weight of 261.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantylsulfanyl)pyridin-3-ol is sourced from PubChem (CID 15133290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).