N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H28N2S — CID 114116951

IUPACN-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1(SC)CCC1
InChIInChI=1S/C15H28N2S/c1-3-16-12-9-13-5-6-14(10-12)17(13)11-15(18-2)7-4-8-15/h12-14,16H,3-11H2,1-2H3
InChIKeyFKWLUQXITATBQY-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.88
Rot. Bonds5

About N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114116951) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114116951
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1(SC)CCC1
InChIInChI=1S/C15H28N2S/c1-3-16-12-9-13-5-6-14(10-12)17(13)11-15(18-2)7-4-8-15/h12-14,16H,3-11H2,1-2H3
InChIKeyFKWLUQXITATBQY-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 114116951) is N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2CC1(SC)CCC1.
What is the InChIKey of N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FKWLUQXITATBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-16-12-9-13-5-6-14(10-12)17(13)11-15(18-2)7-4-8-15/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 268.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114116951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).