3-bromo-5-cyclohexyl-2-methylthiophene

C11H15BrS — CID 102297438

IUPAC3-bromo-5-cyclohexyl-2-methylthiophene
SMILESCc1sc(C2CCCCC2)cc1Br
InChIInChI=1S/C11H15BrS/c1-8-10(12)7-11(13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyMNKXPZTVYVVZHI-UHFFFAOYSA-N
MW259.21 g/mol
LogP4.87
Rot. Bonds1

About 3-bromo-5-cyclohexyl-2-methylthiophene

3-bromo-5-cyclohexyl-2-methylthiophene (PubChem CID 102297438) has the molecular formula C11H15BrS and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-bromo-5-cyclohexyl-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-cyclohexyl-2-methylthiophene
PubChem CID102297438
Molecular FormulaC11H15BrS
Molecular Weight259.21 g/mol
Exact Mass258.01
IUPAC Name3-bromo-5-cyclohexyl-2-methylthiophene
SMILESCc1sc(C2CCCCC2)cc1Br
InChIInChI=1S/C11H15BrS/c1-8-10(12)7-11(13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyMNKXPZTVYVVZHI-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-cyclopentyl-2-methylthiophene;ethane
CID 142451002
2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
CID 102845718
(4-bromo-5-methylthiophen-2-yl)-cycloheptylmethanone
CID 102826592
5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 102838029
2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
CID 102844765
5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine
CID 170206140
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 102845819
4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione
CID 102845446
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol
CID 102845724
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
1-(4-bromo-5-methylthiophen-2-yl)-2-cycloheptylethanone
CID 102826473
2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
CID 102844737

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclohexyl-2-methylthiophene?
The IUPAC name of 3-bromo-5-cyclohexyl-2-methylthiophene (CID 102297438) is 3-bromo-5-cyclohexyl-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-cyclohexyl-2-methylthiophene?
The canonical SMILES for 3-bromo-5-cyclohexyl-2-methylthiophene is Cc1sc(C2CCCCC2)cc1Br.
What is the InChIKey of 3-bromo-5-cyclohexyl-2-methylthiophene?
The InChIKey is MNKXPZTVYVVZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrS/c1-8-10(12)7-11(13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 3-bromo-5-cyclohexyl-2-methylthiophene?
3-bromo-5-cyclohexyl-2-methylthiophene has a molecular weight of 259.21 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclohexyl-2-methylthiophene is sourced from PubChem (CID 102297438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).