5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one

C15H17NO2S — CID 103985823

IUPAC5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2sccc2c1=O)C1CCCCC1
InChIInChI=1S/C15H17NO2S/c17-13(11-4-2-1-3-5-11)10-16-8-6-14-12(15(16)18)7-9-19-14/h6-9,11H,1-5,10H2
InChIKeySTYPEROZRYBKRU-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.21
Rot. Bonds3

About 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one

5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one (PubChem CID 103985823) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one
PubChem CID103985823
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2sccc2c1=O)C1CCCCC1
InChIInChI=1S/C15H17NO2S/c17-13(11-4-2-1-3-5-11)10-16-8-6-14-12(15(16)18)7-9-19-14/h6-9,11H,1-5,10H2
InChIKeySTYPEROZRYBKRU-UHFFFAOYSA-N
XLogP3.21
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate
CID 124616460
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912100
5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912101
N-(oxan-4-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 75500278
5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one
CID 103072901
5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 112557045
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one (CID 103985823) is 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one is O=C(Cn1ccc2sccc2c1=O)C1CCCCC1.
What is the InChIKey of 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is STYPEROZRYBKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-13(11-4-2-1-3-5-11)10-16-8-6-14-12(15(16)18)7-9-19-14/h6-9,11H,1-5,10H2.
What are the key properties of 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one?
5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 275.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 103985823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).