8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol

C7H13NOS — CID 105431363

IUPAC8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol
SMILESCC1(O)C2CNCC1SC2
InChIInChI=1S/C7H13NOS/c1-7(9)5-2-8-3-6(7)10-4-5/h5-6,8-9H,2-4H2,1H3
InChIKeyFSSQYQODIJIVEU-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.07
Rot. Bonds

About 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol

8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 105431363) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID105431363
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol
SMILESCC1(O)C2CNCC1SC2
InChIInChI=1S/C7H13NOS/c1-7(9)5-2-8-3-6(7)10-4-5/h5-6,8-9H,2-4H2,1H3
InChIKeyFSSQYQODIJIVEU-UHFFFAOYSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol (CID 105431363) is 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol is CC1(O)C2CNCC1SC2.
What is the InChIKey of 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is FSSQYQODIJIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(9)5-2-8-3-6(7)10-4-5/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol?
8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 159.25 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-thia-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 105431363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).