8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

C11H22N2S — CID 112704244

IUPAC8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSCC(C)N1C2CCC1CC(N)C2
InChIInChI=1S/C11H22N2S/c1-8(7-14-2)13-10-3-4-11(13)6-9(12)5-10/h8-11H,3-7,12H2,1-2H3
InChIKeyWXNGUNKIROOAHA-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.69
Rot. Bonds3

About 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 112704244) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID112704244
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSCC(C)N1C2CCC1CC(N)C2
InChIInChI=1S/C11H22N2S/c1-8(7-14-2)13-10-3-4-11(13)6-9(12)5-10/h8-11H,3-7,12H2,1-2H3
InChIKeyWXNGUNKIROOAHA-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 112704244) is 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is CSCC(C)N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WXNGUNKIROOAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-8(7-14-2)13-10-3-4-11(13)6-9(12)5-10/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylsulfanylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 112704244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).