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

C8H15NS — CID 97292707

IUPAC(1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane
SMILESCSC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H15NS/c1-10-8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3/t6-,7+,8?
InChIKeyCDSOONQZLNZDOD-DHBOJHSNSA-N
MW157.28 g/mol
LogP1.63
Rot. Bonds1

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

(1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane (PubChem CID 97292707) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane
PubChem CID97292707
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane
SMILESCSC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C8H15NS/c1-10-8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3/t6-,7+,8?
InChIKeyCDSOONQZLNZDOD-DHBOJHSNSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane (CID 97292707) is (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane is CSC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane?
The InChIKey is CDSOONQZLNZDOD-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane has a molecular weight of 157.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 97292707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).