3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane

C11H21NS — CID 71778002

IUPAC3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane
SMILESCC(C)CSC1CC2CCC(C1)N2
InChIInChI=1S/C11H21NS/c1-8(2)7-13-11-5-9-3-4-10(6-11)12-9/h8-12H,3-7H2,1-2H3
InChIKeyOZKKRBIQYLMSNO-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds3

About 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane

3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane (PubChem CID 71778002) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane
PubChem CID71778002
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane
SMILESCC(C)CSC1CC2CCC(C1)N2
InChIInChI=1S/C11H21NS/c1-8(2)7-13-11-5-9-3-4-10(6-11)12-9/h8-12H,3-7H2,1-2H3
InChIKeyOZKKRBIQYLMSNO-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane (CID 71778002) is 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane is CC(C)CSC1CC2CCC(C1)N2.
What is the InChIKey of 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is OZKKRBIQYLMSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-8(2)7-13-11-5-9-3-4-10(6-11)12-9/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane?
3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 199.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71778002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).