3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol

C15H21NOS — CID 171960158

IUPAC3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESCc1cccc(CC2(O)CC3CCCC(C2)S3)n1
InChIInChI=1S/C15H21NOS/c1-11-4-2-5-12(16-11)8-15(17)9-13-6-3-7-14(10-15)18-13/h2,4-5,13-14,17H,3,6-10H2,1H3
InChIKeyIARKUAXFOMYBAQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.11
Rot. Bonds2

About 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol

3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol (PubChem CID 171960158) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol
PubChem CID171960158
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESCc1cccc(CC2(O)CC3CCCC(C2)S3)n1
InChIInChI=1S/C15H21NOS/c1-11-4-2-5-12(16-11)8-15(17)9-13-6-3-7-14(10-15)18-13/h2,4-5,13-14,17H,3,6-10H2,1H3
InChIKeyIARKUAXFOMYBAQ-UHFFFAOYSA-N
XLogP3.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol with MolForge

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Related Compounds

1-[6-(2-Hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol
CID 11204145
2-Methyl-1,3-bis(6-methyl-2-pyridinyl)propan-2-ol
CID 318134
3-[6-(Trifluoromethyl)-2-pyridinyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171954452
9-Oxo-3-[6-(trifluoromethyl)-2-pyridinyl]-9lambda4-thiabicyclo[3.3.1]nonan-3-ol
CID 171954453
9,9-Dioxo-3-[6-(trifluoromethyl)-2-pyridinyl]-9lambda6-thiabicyclo[3.3.1]nonan-3-ol
CID 171954454
3-(2,6-Difluoro-3-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171957806
3-(3-Fluoro-6-methyl-2-pyridinyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171957969
3-(3-Fluoro-6-methyl-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171957978
3-(3-Fluoro-6-methyl-2-pyridinyl)-9-oxo-9lambda4-thiabicyclo[3.3.1]nonan-3-ol
CID 171957979
3-(3-Fluoro-6-methyl-2-pyridinyl)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]nonan-3-ol
CID 171957980
3-(5-Fluoro-6-methyl-2-pyridinyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171957994
3-(5-Fluoro-6-methyl-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958003

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol (CID 171960158) is 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol is Cc1cccc(CC2(O)CC3CCCC(C2)S3)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol?
The InChIKey is IARKUAXFOMYBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-4-2-5-12(16-11)8-15(17)9-13-6-3-7-14(10-15)18-13/h2,4-5,13-14,17H,3,6-10H2,1H3.
What are the key properties of 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol?
3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol has a molecular weight of 263.41 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methyl]-9-thiabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171960158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).