2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene

C12H17ClS — CID 64909685

IUPAC2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene
SMILESCC1C(Cl)CCC1CCc1cccs1
InChIInChI=1S/C12H17ClS/c1-9-10(5-7-12(9)13)4-6-11-3-2-8-14-11/h2-3,8-10,12H,4-7H2,1H3
InChIKeyDNWAJUVZAOUARS-UHFFFAOYSA-N
MW228.79 g/mol
LogP4.33
Rot. Bonds3

About 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene

2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene (PubChem CID 64909685) has the molecular formula C12H17ClS and a molecular weight of 228.79 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene
PubChem CID64909685
Molecular FormulaC12H17ClS
Molecular Weight228.79 g/mol
Exact Mass228.07
IUPAC Name2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene
SMILESCC1C(Cl)CCC1CCc1cccs1
InChIInChI=1S/C12H17ClS/c1-9-10(5-7-12(9)13)4-6-11-3-2-8-14-11/h2-3,8-10,12H,4-7H2,1H3
InChIKeyDNWAJUVZAOUARS-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.79
LogP ≤ 54.33
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-chloro-2,2-dimethyl-4-(2-thiophen-2-ylethyl)oxolane
CID 130604785
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
CID 81017720
2-[2-(2-bromocyclopentyl)ethyl]thiophene
CID 63774443
2-[2-(3-chlorocyclohexyl)ethyl]thiophene
CID 64515904
2-[2-(3-chlorocycloheptyl)ethyl]thiophene
CID 64507957
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
CID 102959815
N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 83195896
N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63773845
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene?
The IUPAC name of 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene (CID 64909685) is 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene?
The canonical SMILES for 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene is CC1C(Cl)CCC1CCc1cccs1.
What is the InChIKey of 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene?
The InChIKey is DNWAJUVZAOUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClS/c1-9-10(5-7-12(9)13)4-6-11-3-2-8-14-11/h2-3,8-10,12H,4-7H2,1H3.
What are the key properties of 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene?
2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene has a molecular weight of 228.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene is sourced from PubChem (CID 64909685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).