1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine

C10H14Br2N2S — CID 131430761

IUPAC1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine
SMILESC[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1
InChIInChI=1S/C10H14Br2N2S/c1-7(14-4-2-13-3-5-14)9-6-8(11)10(12)15-9/h6-7,13H,2-5H2,1H3/t7-/m0/s1
InChIKeyJPBGKJSIZXIMFT-ZETCQYMHSA-N
MW354.11 g/mol
LogP3.24
Rot. Bonds2

About 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine

1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine (PubChem CID 131430761) has the molecular formula C10H14Br2N2S and a molecular weight of 354.11 g/mol. Its IUPAC name is 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine
PubChem CID131430761
Molecular FormulaC10H14Br2N2S
Molecular Weight354.11 g/mol
Exact Mass351.92
IUPAC Name1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine
SMILESC[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1
InChIInChI=1S/C10H14Br2N2S/c1-7(14-4-2-13-3-5-14)9-6-8(11)10(12)15-9/h6-7,13H,2-5H2,1H3/t7-/m0/s1
InChIKeyJPBGKJSIZXIMFT-ZETCQYMHSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine
CID 171305676
1-[(1R)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304911
2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol
CID 102843442
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171283711
1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276089
(3S)-3-(4,5-dibromothiophen-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306422
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)-4-methylpentyl]piperazine
CID 171310839
2-(4-bromo-5-methylthiophen-2-yl)-2-piperazin-1-ylacetonitrile
CID 102840088
1-[(1R)-1-(3-bromo-2,6-difluorophenyl)ethyl]piperazine
CID 171169983
1-[(1R)-1-(2-bromo-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171288103

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine (CID 131430761) is 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine is C[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine?
The InChIKey is JPBGKJSIZXIMFT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14Br2N2S/c1-7(14-4-2-13-3-5-14)9-6-8(11)10(12)15-9/h6-7,13H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine?
1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine has a molecular weight of 354.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)ethyl]piperazine is sourced from PubChem (CID 131430761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).