N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

C13H24N2S — CID 103064865

IUPACN-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C1CCSC1
InChIInChI=1S/C13H24N2S/c1-2-14-10-7-11-3-4-12(8-10)15(11)13-5-6-16-9-13/h10-14H,2-9H2,1H3
InChIKeyDQFUELSGTDZWLD-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.10
Rot. Bonds3

About N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 103064865) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID103064865
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C1CCSC1
InChIInChI=1S/C13H24N2S/c1-2-14-10-7-11-3-4-12(8-10)15(11)13-5-6-16-9-13/h10-14H,2-9H2,1H3
InChIKeyDQFUELSGTDZWLD-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 103064865) is N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2C1CCSC1.
What is the InChIKey of N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is DQFUELSGTDZWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-14-10-7-11-3-4-12(8-10)15(11)13-5-6-16-9-13/h10-14H,2-9H2,1H3.
What are the key properties of N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 103064865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).