2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine

C13H22BrN3S — CID 115380278

IUPAC2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)c2sccc2Br)CC1
InChIInChI=1S/C13H22BrN3S/c1-2-4-16-5-7-17(8-6-16)12(10-15)13-11(14)3-9-18-13/h3,9,12H,2,4-8,10,15H2,1H3
InChIKeyOSXPOPQUUOTOKV-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.54
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine

2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine (PubChem CID 115380278) has the molecular formula C13H22BrN3S and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine
PubChem CID115380278
Molecular FormulaC13H22BrN3S
Molecular Weight332.31 g/mol
Exact Mass331.07
IUPAC Name2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)c2sccc2Br)CC1
InChIInChI=1S/C13H22BrN3S/c1-2-4-16-5-7-17(8-6-16)12(10-15)13-11(14)3-9-18-13/h3,9,12H,2,4-8,10,15H2,1H3
InChIKeyOSXPOPQUUOTOKV-UHFFFAOYSA-N
XLogP2.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
CID 115380421
2-(3-bromothiophen-2-yl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 115380349
2-(3-bromothiophen-2-yl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107453920
2-(3-bromothiophen-2-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 115380425
2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 43364603
2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807
2-(3-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 115381023
2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
CID 115380460
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 115380442
1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine
CID 61062865
[(3-bromothiophen-2-yl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247967

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine (CID 115380278) is 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine is CCCN1CCN(C(CN)c2sccc2Br)CC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine?
The InChIKey is OSXPOPQUUOTOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3S/c1-2-4-16-5-7-17(8-6-16)12(10-15)13-11(14)3-9-18-13/h3,9,12H,2,4-8,10,15H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine?
2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine has a molecular weight of 332.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 115380278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).