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

C16H22N2OS — CID 115912100

IUPAC5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCNCC1CCCCC1
InChIInChI=1S/C16H22N2OS/c19-16-14-7-11-20-15(14)6-9-18(16)10-8-17-12-13-4-2-1-3-5-13/h6-7,9,11,13,17H,1-5,8,10,12H2
InChIKeyQRNOGHMOZGEVBT-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.23
Rot. Bonds5

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

5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115912100) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID115912100
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCNCC1CCCCC1
InChIInChI=1S/C16H22N2OS/c19-16-14-7-11-20-15(14)6-9-18(16)10-8-17-12-13-4-2-1-3-5-13/h6-7,9,11,13,17H,1-5,8,10,12H2
InChIKeyQRNOGHMOZGEVBT-UHFFFAOYSA-N
XLogP3.23
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912101
5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557132
5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912105
5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one
CID 103985823
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
CID 112557134
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one
CID 80582631
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
CID 112557046
1-[2-(cyclohexylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582596

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one (CID 115912100) is 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CCNCC1CCCCC1.
What is the InChIKey of 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is QRNOGHMOZGEVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-16-14-7-11-20-15(14)6-9-18(16)10-8-17-12-13-4-2-1-3-5-13/h6-7,9,11,13,17H,1-5,8,10,12H2.
What are the key properties of 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 290.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115912100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).