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

C14H19NO2S — CID 171957733

IUPAC3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESCOc1cccc(C2(O)CC3CCCC(C2)S3)n1
InChIInChI=1S/C14H19NO2S/c1-17-13-7-3-6-12(15-13)14(16)8-10-4-2-5-11(9-14)18-10/h3,6-7,10-11,16H,2,4-5,8-9H2,1H3
InChIKeyFBZZFTVXDKQHHO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.73
Rot. Bonds2

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

3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol (PubChem CID 171957733) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol
PubChem CID171957733
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESCOc1cccc(C2(O)CC3CCCC(C2)S3)n1
InChIInChI=1S/C14H19NO2S/c1-17-13-7-3-6-12(15-13)14(16)8-10-4-2-5-11(9-14)18-10/h3,6-7,10-11,16H,2,4-5,8-9H2,1H3
InChIKeyFBZZFTVXDKQHHO-UHFFFAOYSA-N
XLogP2.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(2-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958442
3-(2,6-dimethoxyphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955282
9H-fluoren-9-ylmethyl 3-hydroxy-3-(6-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171957731
3-(4-methoxy-2,6-dimethylphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171954874
3-(3-trimethylsilylphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171955564
3-(3,5-dimethylphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958953
3-(4-fluoro-3-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171961451
3-(3,5-difluoro-4-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171954650
3-(2-methoxynaphthalen-1-yl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171957405
3-(6-methoxy-5-methyl-3-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171960357
3-(2-ethoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171961327
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171963326

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol (CID 171957733) is 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol is COc1cccc(C2(O)CC3CCCC(C2)S3)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol?
The InChIKey is FBZZFTVXDKQHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-17-13-7-3-6-12(15-13)14(16)8-10-4-2-5-11(9-14)18-10/h3,6-7,10-11,16H,2,4-5,8-9H2,1H3.
What are the key properties of 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol?
3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol has a molecular weight of 265.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-9-thiabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171957733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).