3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine

C10H14BrNOS — CID 79464740

IUPAC3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine
SMILESNC1CCC(OCc2sccc2Br)C1
InChIInChI=1S/C10H14BrNOS/c11-9-3-4-14-10(9)6-13-8-2-1-7(12)5-8/h3-4,7-8H,1-2,5-6,12H2
InChIKeyRHFQLAPECGPXGL-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.91
Rot. Bonds3

About 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine

3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine (PubChem CID 79464740) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine
PubChem CID79464740
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine
SMILESNC1CCC(OCc2sccc2Br)C1
InChIInChI=1S/C10H14BrNOS/c11-9-3-4-14-10(9)6-13-8-2-1-7(12)5-8/h3-4,7-8H,1-2,5-6,12H2
InChIKeyRHFQLAPECGPXGL-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine?
The IUPAC name of 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine (CID 79464740) is 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine is NC1CCC(OCc2sccc2Br)C1.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine?
The InChIKey is RHFQLAPECGPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-9-3-4-14-10(9)6-13-8-2-1-7(12)5-8/h3-4,7-8H,1-2,5-6,12H2.
What are the key properties of 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine?
3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine has a molecular weight of 276.20 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine is sourced from PubChem (CID 79464740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).