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

C13H17ClOS — CID 106829545

IUPAC2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
SMILESCC1(C(=O)Cc2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C13H17ClOS/c1-13(7-3-2-4-8-13)11(15)9-10-5-6-12(14)16-10/h5-6H,2-4,7-9H2,1H3
InChIKeyLIIORJLIBQSTSO-UHFFFAOYSA-N
MW256.80 g/mol
LogP4.48
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone (PubChem CID 106829545) has the molecular formula C13H17ClOS and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
PubChem CID106829545
Molecular FormulaC13H17ClOS
Molecular Weight256.80 g/mol
Exact Mass256.07
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
SMILESCC1(C(=O)Cc2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C13H17ClOS/c1-13(7-3-2-4-8-13)11(15)9-10-5-6-12(14)16-10/h5-6H,2-4,7-9H2,1H3
InChIKeyLIIORJLIBQSTSO-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829547
2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707079
1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
CID 116600380
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944666
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748987
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
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
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946201
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749729
1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 29051217
1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451627

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone (CID 106829545) is 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone is CC1(C(=O)Cc2ccc(Cl)s2)CCCCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone?
The InChIKey is LIIORJLIBQSTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClOS/c1-13(7-3-2-4-8-13)11(15)9-10-5-6-12(14)16-10/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone?
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone has a molecular weight of 256.80 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone is sourced from PubChem (CID 106829545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).