(5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H19NO2S — CID 55241626

IUPAC(5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCc1ccc(C(=O)N2C3CCC2CC(O)C3)s1
InChIInChI=1S/C14H19NO2S/c1-2-12-5-6-13(18-12)14(17)15-9-3-4-10(15)8-11(16)7-9/h5-6,9-11,16H,2-4,7-8H2,1H3
InChIKeySQLWVLWBUPOMGU-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.44
Rot. Bonds2

About (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 55241626) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID55241626
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCc1ccc(C(=O)N2C3CCC2CC(O)C3)s1
InChIInChI=1S/C14H19NO2S/c1-2-12-5-6-13(18-12)14(17)15-9-3-4-10(15)8-11(16)7-9/h5-6,9-11,16H,2-4,7-8H2,1H3
InChIKeySQLWVLWBUPOMGU-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 55241626) is (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CCc1ccc(C(=O)N2C3CCC2CC(O)C3)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is SQLWVLWBUPOMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-12-5-6-13(18-12)14(17)15-9-3-4-10(15)8-11(16)7-9/h5-6,9-11,16H,2-4,7-8H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 55241626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).