(2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine

C10H15BrN2S — CID 131014010

IUPAC(2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine
SMILESCCc1sc([C@@H]2CNCCN2)cc1Br
InChIInChI=1S/C10H15BrN2S/c1-2-9-7(11)5-10(14-9)8-6-12-3-4-13-8/h5,8,12-13H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyULASGMDNWHSCSO-QMMMGPOBSA-N
MW275.22 g/mol
LogP2.31
Rot. Bonds2

About (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine

(2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine (PubChem CID 131014010) has the molecular formula C10H15BrN2S and a molecular weight of 275.22 g/mol. Its IUPAC name is (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine
PubChem CID131014010
Molecular FormulaC10H15BrN2S
Molecular Weight275.22 g/mol
Exact Mass274.01
IUPAC Name(2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine
SMILESCCc1sc([C@@H]2CNCCN2)cc1Br
InChIInChI=1S/C10H15BrN2S/c1-2-9-7(11)5-10(14-9)8-6-12-3-4-13-8/h5,8,12-13H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyULASGMDNWHSCSO-QMMMGPOBSA-N
XLogP2.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine
CID 130648707
5-ethyl-2-methyl-4-piperazin-2-yl-1,3-thiazole
CID 82394508
2-(4-ethylphenyl)piperazine
CID 45036830
(2S)-2-(2-bromo-5-methoxyphenyl)piperazine;hydrochloride
CID 171193714
(2R)-2-(3-bromothiophen-2-yl)piperazine
CID 130612052
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338
4-bromo-2,3-difluoro-6-[(2S)-piperazin-2-yl]phenol
CID 131292726
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
2-bromo-4-[(2R)-piperazin-2-yl]phenol
CID 130705473
(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
CID 131001434
(2S)-2-(5-ethylfuran-2-yl)piperazine;hydrochloride
CID 171194652
(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine?
The IUPAC name of (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine (CID 131014010) is (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine.
What is the SMILES notation for (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine?
The canonical SMILES for (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine is CCc1sc([C@@H]2CNCCN2)cc1Br.
What is the InChIKey of (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine?
The InChIKey is ULASGMDNWHSCSO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-2-9-7(11)5-10(14-9)8-6-12-3-4-13-8/h5,8,12-13H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine?
(2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine has a molecular weight of 275.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine is sourced from PubChem (CID 131014010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).