(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol

C8H15NS — CID 71623730

IUPAC(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol
SMILESCN1[C@@H]2CC[C@H]1CC(S)C2
InChIInChI=1S/C8H15NS/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChIKeyAPDHNEFQCYRUFX-DHBOJHSNSA-N
MW157.28 g/mol
LogP1.54
Rot. Bonds

About (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol

(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol (PubChem CID 71623730) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol.

Molecular Properties

Compound Name(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol
PubChem CID71623730
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol
SMILESCN1[C@@H]2CC[C@H]1CC(S)C2
InChIInChI=1S/C8H15NS/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChIKeyAPDHNEFQCYRUFX-DHBOJHSNSA-N
XLogP1.54
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol?
The IUPAC name of (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol (CID 71623730) is (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol.
What is the SMILES notation for (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol?
The canonical SMILES for (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol is CN1[C@@H]2CC[C@H]1CC(S)C2.
What is the InChIKey of (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol?
The InChIKey is APDHNEFQCYRUFX-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol?
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol has a molecular weight of 157.28 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol is sourced from PubChem (CID 71623730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).