1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine

C13H20BrNS — CID 102827024

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
SMILESCc1sc(C(N)CCC2CCCC2)cc1Br
InChIInChI=1S/C13H20BrNS/c1-9-11(14)8-13(16-9)12(15)7-6-10-4-2-3-5-10/h8,10,12H,2-7,15H2,1H3
InChIKeyAMWCMIJGGBWFAF-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.79
Rot. Bonds4

About 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine

1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine (PubChem CID 102827024) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
PubChem CID102827024
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
SMILESCc1sc(C(N)CCC2CCCC2)cc1Br
InChIInChI=1S/C13H20BrNS/c1-9-11(14)8-13(16-9)12(15)7-6-10-4-2-3-5-10/h8,10,12H,2-7,15H2,1H3
InChIKeyAMWCMIJGGBWFAF-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
CID 102828089
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 102827500
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
CID 65439927
1-(2-bromo-4,5-dimethoxyphenyl)-3-cyclohexylpropan-1-amine
CID 43118223
2-cycloheptyl-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 114457744
2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828933

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine (CID 102827024) is 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine is Cc1sc(C(N)CCC2CCCC2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine?
The InChIKey is AMWCMIJGGBWFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-9-11(14)8-13(16-9)12(15)7-6-10-4-2-3-5-10/h8,10,12H,2-7,15H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine?
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 102827024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).