1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C15H21NOS — CID 122392527

IUPAC1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2sccc2C1C1CCCCC1
InChIInChI=1S/C15H21NOS/c1-11(17)16-9-7-14-13(8-10-18-14)15(16)12-5-3-2-4-6-12/h8,10,12,15H,2-7,9H2,1H3
InChIKeyQTEYOXKNGWWEMQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.77
Rot. Bonds1

About 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 122392527) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID122392527
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2sccc2C1C1CCCCC1
InChIInChI=1S/C15H21NOS/c1-11(17)16-9-7-14-13(8-10-18-14)15(16)12-5-3-2-4-6-12/h8,10,12,15H,2-7,9H2,1H3
InChIKeyQTEYOXKNGWWEMQ-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

[4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl](cyclopropyl)methanone
CID 2739312
2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54586592
(4-Benzylpiperidin-1-yl)(thiophen-2-yl)methanone
CID 779610
2-(2-methylbutylamino)-1-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 71738783
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 9551603
7-Isopropyl-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548171
6-Allyl-7-isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548173
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(prop-2-enylamino)ethanone
CID 3421591
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
Acetamide, N-(2-phenyl-1-(2-thienyl)ethyl)-
CID 3061995
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 122392527) is 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2sccc2C1C1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is QTEYOXKNGWWEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(17)16-9-7-14-13(8-10-18-14)15(16)12-5-3-2-4-6-12/h8,10,12,15H,2-7,9H2,1H3.
What are the key properties of 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 263.41 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 122392527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).