8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H21NOS — CID 55237610

IUPAC8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1ccc(CN2C3CCC2CC(O)C3)s1
InChIInChI=1S/C14H21NOS/c1-2-13-5-6-14(17-13)9-15-10-3-4-11(15)8-12(16)7-10/h5-6,10-12,16H,2-4,7-9H2,1H3
InChIKeyRCWVBDOPKFJFGN-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.80
Rot. Bonds3

About 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237610) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237610
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1ccc(CN2C3CCC2CC(O)C3)s1
InChIInChI=1S/C14H21NOS/c1-2-13-5-6-14(17-13)9-15-10-3-4-11(15)8-12(16)7-10/h5-6,10-12,16H,2-4,7-9H2,1H3
InChIKeyRCWVBDOPKFJFGN-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(5-ethylthiophen-2-yl)methyl]-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-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55237610) is 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCc1ccc(CN2C3CCC2CC(O)C3)s1.
What is the InChIKey of 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RCWVBDOPKFJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-13-5-6-14(17-13)9-15-10-3-4-11(15)8-12(16)7-10/h5-6,10-12,16H,2-4,7-9H2,1H3.
What are the key properties of 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).