3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride

C8H16ClNS — CID 72716307

IUPAC3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCSC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C8H15NS.ClH/c1-10-8-4-6-2-3-7(5-8)9-6;/h6-9H,2-5H2,1H3;1H
InChIKeyXWYZJIDXEGLRMI-UHFFFAOYSA-N
MW193.74 g/mol
LogP2.05
Rot. Bonds1

About 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride

3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 72716307) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID72716307
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC Name3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCSC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C8H15NS.ClH/c1-10-8-4-6-2-3-7(5-8)9-6;/h6-9H,2-5H2,1H3;1H
InChIKeyXWYZJIDXEGLRMI-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 132352621
CID 132352621
CID 64281674
CID 64281674
CID 71777925
CID 71777925
CID 81147942
CID 81147942
CID 97292707
CID 97292707
CID 123568841
CID 123568841
CID 129066823
CID 129066823
CID 134415014
CID 134415014
CID 142507484
CID 142507484
CID 145832869
CID 145832869
CID 154946083
CID 154946083
CID 167153926
CID 167153926

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride (CID 72716307) is 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride is CSC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is XWYZJIDXEGLRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.ClH/c1-10-8-4-6-2-3-7(5-8)9-6;/h6-9H,2-5H2,1H3;1H.
What are the key properties of 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride?
3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 193.74 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 72716307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).