[2-(4-bromothiophen-3-yl)cyclopentyl]methanamine

C10H14BrNS — CID 81010011

IUPAC[2-(4-bromothiophen-3-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1c1cscc1Br
InChIInChI=1S/C10H14BrNS/c11-10-6-13-5-9(10)8-3-1-2-7(8)4-12/h5-8H,1-4,12H2
InChIKeyRMUNJOZIOAIHRG-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.35
Rot. Bonds2

About [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine

[2-(4-bromothiophen-3-yl)cyclopentyl]methanamine (PubChem CID 81010011) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromothiophen-3-yl)cyclopentyl]methanamine
PubChem CID81010011
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name[2-(4-bromothiophen-3-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1c1cscc1Br
InChIInChI=1S/C10H14BrNS/c11-10-6-13-5-9(10)8-3-1-2-7(8)4-12/h5-8H,1-4,12H2
InChIKeyRMUNJOZIOAIHRG-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine (CID 81010011) is [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine is NCC1CCCC1c1cscc1Br.
What is the InChIKey of [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine?
The InChIKey is RMUNJOZIOAIHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c11-10-6-13-5-9(10)8-3-1-2-7(8)4-12/h5-8H,1-4,12H2.
What are the key properties of [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine?
[2-(4-bromothiophen-3-yl)cyclopentyl]methanamine has a molecular weight of 260.20 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-3-yl)cyclopentyl]methanamine is sourced from PubChem (CID 81010011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).