3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene

C12H17BrS — CID 116540728

IUPAC3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
SMILESCC1(CCc2ccsc2)CCC(Br)C1
InChIInChI=1S/C12H17BrS/c1-12(6-3-11(13)8-12)5-2-10-4-7-14-9-10/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyOTEZAMOLSPGNKG-UHFFFAOYSA-N
MW273.24 g/mol
LogP4.63
Rot. Bonds3

About 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene

3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene (PubChem CID 116540728) has the molecular formula C12H17BrS and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene.

Molecular Properties

Compound Name3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
PubChem CID116540728
Molecular FormulaC12H17BrS
Molecular Weight273.24 g/mol
Exact Mass272.02
IUPAC Name3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
SMILESCC1(CCc2ccsc2)CCC(Br)C1
InChIInChI=1S/C12H17BrS/c1-12(6-3-11(13)8-12)5-2-10-4-7-14-9-10/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyOTEZAMOLSPGNKG-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
3-ethyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64514105
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 106873818
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol
CID 65151466
2-methyl-2-(2-thiophen-3-ylethyl)azepane
CID 79117598
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
CID 164652404
2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 126979225
3-(2-cyclopropylethyl)thiophene
CID 159324839
2-(2-thiophen-3-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020335

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene?
The IUPAC name of 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene (CID 116540728) is 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene.
What is the SMILES notation for 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene?
The canonical SMILES for 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene is CC1(CCc2ccsc2)CCC(Br)C1.
What is the InChIKey of 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene?
The InChIKey is OTEZAMOLSPGNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrS/c1-12(6-3-11(13)8-12)5-2-10-4-7-14-9-10/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene?
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene has a molecular weight of 273.24 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene is sourced from PubChem (CID 116540728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).