2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone

C13H18OS — CID 43160755

IUPAC2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CC2CCCCC2)s1
InChIInChI=1S/C13H18OS/c1-10-7-8-13(15-10)12(14)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyBPMQUZJCWCRGQI-UHFFFAOYSA-N
MW222.35 g/mol
LogP4.21
Rot. Bonds3

About 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone

2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 43160755) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID43160755
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CC2CCCCC2)s1
InChIInChI=1S/C13H18OS/c1-10-7-8-13(15-10)12(14)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyBPMQUZJCWCRGQI-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 116582234
2-(1,1-dioxothiolan-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 105111563
2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone
CID 64635420
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione
CID 55631701
1-(4-bromo-5-methylthiophen-2-yl)-2-cycloheptylethanone
CID 102826473
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde
CID 82382673
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62035131
2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989569
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclohexylethanone
CID 65279322

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone (CID 43160755) is 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CC2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is BPMQUZJCWCRGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-10-7-8-13(15-10)12(14)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone?
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 222.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 43160755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).