1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine

C11H16BrNOS — CID 64572030

IUPAC1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine
SMILESNC1(COCc2cc(Br)cs2)CCCC1
InChIInChI=1S/C11H16BrNOS/c12-9-5-10(15-7-9)6-14-8-11(13)3-1-2-4-11/h5,7H,1-4,6,8,13H2
InChIKeyFJEWGTWGSWGEMK-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.30
Rot. Bonds4

About 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine

1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine (PubChem CID 64572030) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine
PubChem CID64572030
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine
SMILESNC1(COCc2cc(Br)cs2)CCCC1
InChIInChI=1S/C11H16BrNOS/c12-9-5-10(15-7-9)6-14-8-11(13)3-1-2-4-11/h5,7H,1-4,6,8,13H2
InChIKeyFJEWGTWGSWGEMK-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine (CID 64572030) is 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine is NC1(COCc2cc(Br)cs2)CCCC1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine?
The InChIKey is FJEWGTWGSWGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-9-5-10(15-7-9)6-14-8-11(13)3-1-2-4-11/h5,7H,1-4,6,8,13H2.
What are the key properties of 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine?
1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64572030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).