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

C13H20BrNS — CID 79992064

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
SMILESCc1cc(C(N)CCC2CCCC2)sc1Br
InChIInChI=1S/C13H20BrNS/c1-9-8-12(16-13(9)14)11(15)7-6-10-4-2-3-5-10/h8,10-11H,2-7,15H2,1H3
InChIKeyNKLKAURGYDWKKP-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.79
Rot. Bonds4

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

1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine (PubChem CID 79992064) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
PubChem CID79992064
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
SMILESCc1cc(C(N)CCC2CCCC2)sc1Br
InChIInChI=1S/C13H20BrNS/c1-9-8-12(16-13(9)14)11(15)7-6-10-4-2-3-5-10/h8,10-11H,2-7,15H2,1H3
InChIKeyNKLKAURGYDWKKP-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

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
1-(5-bromo-4-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 79991199
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
CID 171203275
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
CID 102828089
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine (CID 79992064) is 1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine is Cc1cc(C(N)CCC2CCCC2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine?
The InChIKey is NKLKAURGYDWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-9-8-12(16-13(9)14)11(15)7-6-10-4-2-3-5-10/h8,10-11H,2-7,15H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine?
1-(5-bromo-4-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-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 79992064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).