(6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane

C7H13NS — CID 166925911

IUPAC(6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane
SMILESC[C@@H]1CC2CSCC1N2
InChIInChI=1S/C7H13NS/c1-5-2-6-3-9-4-7(5)8-6/h5-8H,2-4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyVMKCMFBQKMVOKF-GRQBKTHUSA-N
MW143.25 g/mol
LogP1.10
Rot. Bonds

About (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane

(6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane (PubChem CID 166925911) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane
PubChem CID166925911
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane
SMILESC[C@@H]1CC2CSCC1N2
InChIInChI=1S/C7H13NS/c1-5-2-6-3-9-4-7(5)8-6/h5-8H,2-4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyVMKCMFBQKMVOKF-GRQBKTHUSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane?
The IUPAC name of (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane (CID 166925911) is (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane is C[C@@H]1CC2CSCC1N2.
What is the InChIKey of (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane?
The InChIKey is VMKCMFBQKMVOKF-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-2-6-3-9-4-7(5)8-6/h5-8H,2-4H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane?
(6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane has a molecular weight of 143.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 166925911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).