8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol

C15H24N2OS — CID 55243566

IUPAC8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(N)C(c1ccsc1)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H24N2OS/c1-2-14(16)15(10-5-6-19-9-10)17-11-3-4-12(17)8-13(18)7-11/h5-6,9,11-15,18H,2-4,7-8,16H2,1H3
InChIKeyZYZYANKZVLMEPT-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.51
Rot. Bonds4

About 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55243566) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55243566
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(N)C(c1ccsc1)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H24N2OS/c1-2-14(16)15(10-5-6-19-9-10)17-11-3-4-12(17)8-13(18)7-11/h5-6,9,11-15,18H,2-4,7-8,16H2,1H3
InChIKeyZYZYANKZVLMEPT-UHFFFAOYSA-N
XLogP2.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 55243566) is 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol is CCC(N)C(c1ccsc1)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZYZYANKZVLMEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-14(16)15(10-5-6-19-9-10)17-11-3-4-12(17)8-13(18)7-11/h5-6,9,11-15,18H,2-4,7-8,16H2,1H3.
What are the key properties of 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 280.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55243566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).