3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol

C12H23NOS — CID 171952013

IUPAC3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESCN(C)CCC1(O)CC2CCCC(C1)S2
InChIInChI=1S/C12H23NOS/c1-13(2)7-6-12(14)8-10-4-3-5-11(9-12)15-10/h10-11,14H,3-9H2,1-2H3
InChIKeyUQOJMHJXYNLTPP-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.12
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol

3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952013) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol
PubChem CID171952013
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESCN(C)CCC1(O)CC2CCCC(C1)S2
InChIInChI=1S/C12H23NOS/c1-13(2)7-6-12(14)8-10-4-3-5-11(9-12)15-10/h10-11,14H,3-9H2,1-2H3
InChIKeyUQOJMHJXYNLTPP-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol with MolForge

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Related Compounds

3-[2-(diethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171957560
3-octyl-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171959535
4-[2-(dimethylamino)ethyl]thian-4-ol
CID 84732964
3-(4-methoxybutyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171952054
3-(3,5-dimethylphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958953
3-(4,4,4-trifluorobutyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171964307
1-[3-(dimethylamino)propyl]cyclopentan-1-ol
CID 115073760
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171963326
3-[[2-(trifluoromethoxy)phenyl]methyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171956892
3-[(dimethylamino)methyl]bicyclo[3.1.0]hexan-3-ol
CID 144866555
3-(1-methylpyrazol-4-yl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171951782
3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 79618999

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol (CID 171952013) is 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol is CN(C)CCC1(O)CC2CCCC(C1)S2.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol?
The InChIKey is UQOJMHJXYNLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-13(2)7-6-12(14)8-10-4-3-5-11(9-12)15-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol?
3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol has a molecular weight of 229.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).