2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone

C15H22OS — CID 106829547

IUPAC2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
SMILESCCc1ccc(CC(=O)C2(C)CCCCC2)s1
InChIInChI=1S/C15H22OS/c1-3-12-7-8-13(17-12)11-14(16)15(2)9-5-4-6-10-15/h7-8H,3-6,9-11H2,1-2H3
InChIKeyGJLYKQYACDYTBG-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.39
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone

2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone (PubChem CID 106829547) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
PubChem CID106829547
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
SMILESCCc1ccc(CC(=O)C2(C)CCCCC2)s1
InChIInChI=1S/C15H22OS/c1-3-12-7-8-13(17-12)11-14(16)15(2)9-5-4-6-10-15/h7-8H,3-6,9-11H2,1-2H3
InChIKeyGJLYKQYACDYTBG-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
CID 116578854
2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79059531
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116750094
1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 107003842
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
CID 64982251
N-[(5-ethylthiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106011884
N-[(5-ethylthiophen-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907354
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106829673
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone (CID 106829547) is 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone is CCc1ccc(CC(=O)C2(C)CCCCC2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone?
The InChIKey is GJLYKQYACDYTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-3-12-7-8-13(17-12)11-14(16)15(2)9-5-4-6-10-15/h7-8H,3-6,9-11H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone has a molecular weight of 250.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone is sourced from PubChem (CID 106829547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).