8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane

C10H19NS — CID 127437154

IUPAC8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane
SMILESCSCCN1C2CCCC1CC2
InChIInChI=1S/C10H19NS/c1-12-8-7-11-9-3-2-4-10(11)6-5-9/h9-10H,2-8H2,1H3
InChIKeyGBYALYUAPDROTF-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.37
Rot. Bonds3

About 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane

8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 127437154) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane
PubChem CID127437154
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane
SMILESCSCCN1C2CCCC1CC2
InChIInChI=1S/C10H19NS/c1-12-8-7-11-9-3-2-4-10(11)6-5-9/h9-10H,2-8H2,1H3
InChIKeyGBYALYUAPDROTF-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane (CID 127437154) is 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane is CSCCN1C2CCCC1CC2.
What is the InChIKey of 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is GBYALYUAPDROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-12-8-7-11-9-3-2-4-10(11)6-5-9/h9-10H,2-8H2,1H3.
What are the key properties of 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane?
8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 185.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 127437154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).