N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

C13H19ClN2S — CID 105364025

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(NC1CCN2CCC1C2)c1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2S/c1-9(12-2-3-13(14)17-12)15-11-5-7-16-6-4-10(11)8-16/h2-3,9-11,15H,4-8H2,1H3
InChIKeyYDKPNAMEKZFBJT-UHFFFAOYSA-N
MW270.83 g/mol
LogP3.15
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364025) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364025
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(NC1CCN2CCC1C2)c1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2S/c1-9(12-2-3-13(14)17-12)15-11-5-7-16-6-4-10(11)8-16/h2-3,9-11,15H,4-8H2,1H3
InChIKeyYDKPNAMEKZFBJT-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
CID 64910199
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
CID 113349300
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364354
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
N-[1-(4-methylsulfanylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364028
N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
2-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
CID 65074018
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364151

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364025) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is CC(NC1CCN2CCC1C2)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is YDKPNAMEKZFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-9(12-2-3-13(14)17-12)15-11-5-7-16-6-4-10(11)8-16/h2-3,9-11,15H,4-8H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 270.83 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).