6-thia-3-azabicyclo[3.2.1]octane

C6H11NS — CID 84762282

IUPAC6-thia-3-azabicyclo[3.2.1]octane
SMILESC1NCC2CC1CS2
InChIInChI=1S/C6H11NS/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2
InChIKeyPGJQHWLHYPRRCB-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.71
Rot. Bonds

About 6-thia-3-azabicyclo[3.2.1]octane

6-thia-3-azabicyclo[3.2.1]octane (PubChem CID 84762282) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 6-thia-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-thia-3-azabicyclo[3.2.1]octane
PubChem CID84762282
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name6-thia-3-azabicyclo[3.2.1]octane
SMILESC1NCC2CC1CS2
InChIInChI=1S/C6H11NS/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2
InChIKeyPGJQHWLHYPRRCB-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-thia-3-azabicyclo[3.2.1]octane?
The IUPAC name of 6-thia-3-azabicyclo[3.2.1]octane (CID 84762282) is 6-thia-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-thia-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-thia-3-azabicyclo[3.2.1]octane is C1NCC2CC1CS2.
What is the InChIKey of 6-thia-3-azabicyclo[3.2.1]octane?
The InChIKey is PGJQHWLHYPRRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5-2-7-3-6(1)8-4-5/h5-7H,1-4H2.
What are the key properties of 6-thia-3-azabicyclo[3.2.1]octane?
6-thia-3-azabicyclo[3.2.1]octane has a molecular weight of 129.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thia-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 84762282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).