5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one

C15H22N2O2S — CID 115912105

IUPAC5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESCCCCOCCNCCn1ccc2sccc2c1=O
InChIInChI=1S/C15H22N2O2S/c1-2-3-10-19-11-7-16-6-9-17-8-4-14-13(15(17)18)5-12-20-14/h4-5,8,12,16H,2-3,6-7,9-11H2,1H3
InChIKeyZCCMBAQSZDQGDN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.47
Rot. Bonds9

About 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one

5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115912105) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID115912105
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESCCCCOCCNCCn1ccc2sccc2c1=O
InChIInChI=1S/C15H22N2O2S/c1-2-3-10-19-11-7-16-6-9-17-8-4-14-13(15(17)18)5-12-20-14/h4-5,8,12,16H,2-3,6-7,9-11H2,1H3
InChIKeyZCCMBAQSZDQGDN-UHFFFAOYSA-N
XLogP2.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557132
5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
CID 112557134
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912100
5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557143
5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
CID 103482414
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
CID 104599398
5-[2-(1-thiophen-2-ylethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912125
5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
3-[2-(3-ethoxypropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62563166
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
N-(2-butoxyethyl)-2-(3-chloroindol-1-yl)ethanamine
CID 62803775

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one (CID 115912105) is 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one is CCCCOCCNCCn1ccc2sccc2c1=O.
What is the InChIKey of 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is ZCCMBAQSZDQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-3-10-19-11-7-16-6-9-17-8-4-14-13(15(17)18)5-12-20-14/h4-5,8,12,16H,2-3,6-7,9-11H2,1H3.
What are the key properties of 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115912105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).