8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine

C10H20N2S — CID 63960241

IUPAC8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSCCN1C2CCC1CC(N)C2
InChIInChI=1S/C10H20N2S/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7,11H2,1H3
InChIKeyILYJYRNQLAGJSR-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.30
Rot. Bonds3

About 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63960241) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63960241
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCSCCN1C2CCC1CC(N)C2
InChIInChI=1S/C10H20N2S/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7,11H2,1H3
InChIKeyILYJYRNQLAGJSR-UHFFFAOYSA-N
XLogP1.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 63960241) is 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine is CSCCN1C2CCC1CC(N)C2.
What is the InChIKey of 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ILYJYRNQLAGJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7,11H2,1H3.
What are the key properties of 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63960241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).