3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol

C16H20N2OS — CID 171956348

IUPAC3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESCn1cc2ccc(C3(O)CC4CCCC(C3)S4)cc2n1
InChIInChI=1S/C16H20N2OS/c1-18-10-11-5-6-12(7-15(11)17-18)16(19)8-13-3-2-4-14(9-16)20-13/h5-7,10,13-14,19H,2-4,8-9H2,1H3
InChIKeyJINDXNJQSBUYMR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.21
Rot. Bonds1

About 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol

3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol (PubChem CID 171956348) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol
PubChem CID171956348
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESCn1cc2ccc(C3(O)CC4CCCC(C3)S4)cc2n1
InChIInChI=1S/C16H20N2OS/c1-18-10-11-5-6-12(7-15(11)17-18)16(19)8-13-3-2-4-14(9-16)20-13/h5-7,10,13-14,19H,2-4,8-9H2,1H3
InChIKeyJINDXNJQSBUYMR-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl 3-hydroxy-3-(2-methylindazol-6-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956345
3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171956078
3-(1-methylpyrazol-4-yl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171951782
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-(4-prop-1-en-2-ylphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171962086
3-(1,3,5-trimethylpyrazol-4-yl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958302
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171963326
3-(3-trimethylsilylphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955555
3-[4-(1,3-dioxolan-2-yl)phenyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171963077
4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine
CID 154199208

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol (CID 171956348) is 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol is Cn1cc2ccc(C3(O)CC4CCCC(C3)S4)cc2n1.
What is the InChIKey of 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol?
The InChIKey is JINDXNJQSBUYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-18-10-11-5-6-12(7-15(11)17-18)16(19)8-13-3-2-4-14(9-16)20-13/h5-7,10,13-14,19H,2-4,8-9H2,1H3.
What are the key properties of 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol?
3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol has a molecular weight of 288.42 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindazol-6-yl)-9-thiabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171956348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).