8-methyl-8-azabicyclo[3.2.1]octane-3-thione

C8H13NS — CID 18009150

IUPAC8-methyl-8-azabicyclo[3.2.1]octane-3-thione
SMILESCN1C2CCC1CC(=S)C2
InChIInChI=1S/C8H13NS/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
InChIKeyAXBNZCDFALXRDH-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.61
Rot. Bonds

About 8-methyl-8-azabicyclo[3.2.1]octane-3-thione

8-methyl-8-azabicyclo[3.2.1]octane-3-thione (PubChem CID 18009150) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]octane-3-thione.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]octane-3-thione
PubChem CID18009150
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octane-3-thione
SMILESCN1C2CCC1CC(=S)C2
InChIInChI=1S/C8H13NS/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
InChIKeyAXBNZCDFALXRDH-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-thione?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-thione (CID 18009150) is 8-methyl-8-azabicyclo[3.2.1]octane-3-thione.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]octane-3-thione?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]octane-3-thione is CN1C2CCC1CC(=S)C2.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]octane-3-thione?
The InChIKey is AXBNZCDFALXRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]octane-3-thione?
8-methyl-8-azabicyclo[3.2.1]octane-3-thione has a molecular weight of 155.27 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]octane-3-thione is sourced from PubChem (CID 18009150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).