8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H20N2S — CID 62739808

IUPAC8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSc1cccc(N2C3CCC2CC(N)C3)c1
InChIInChI=1S/C14H20N2S/c1-17-14-4-2-3-11(9-14)16-12-5-6-13(16)8-10(15)7-12/h2-4,9-10,12-13H,5-8,15H2,1H3
InChIKeyOQMVHNRJCCEYHQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.87
Rot. Bonds2

About 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739808) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739808
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSc1cccc(N2C3CCC2CC(N)C3)c1
InChIInChI=1S/C14H20N2S/c1-17-14-4-2-3-11(9-14)16-12-5-6-13(16)8-10(15)7-12/h2-4,9-10,12-13H,5-8,15H2,1H3
InChIKeyOQMVHNRJCCEYHQ-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739808) is 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is CSc1cccc(N2C3CCC2CC(N)C3)c1.
What is the InChIKey of 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OQMVHNRJCCEYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-17-14-4-2-3-11(9-14)16-12-5-6-13(16)8-10(15)7-12/h2-4,9-10,12-13H,5-8,15H2,1H3.
What are the key properties of 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylsulfanylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).