1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine

C13H15BrN2S2 — CID 171276105

IUPAC1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
SMILESBrc1ccc([C@H](c2cccs2)N2CCNCC2)s1
InChIInChI=1S/C13H15BrN2S2/c14-12-4-3-11(18-12)13(10-2-1-9-17-10)16-7-5-15-6-8-16/h1-4,9,13,15H,5-8H2/t13-/m0/s1
InChIKeyFTCLDALKTDALIU-ZDUSSCGKSA-N
MW343.32 g/mol
LogP3.57
Rot. Bonds3

About 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine

1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171276105) has the molecular formula C13H15BrN2S2 and a molecular weight of 343.32 g/mol. Its IUPAC name is 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
PubChem CID171276105
Molecular FormulaC13H15BrN2S2
Molecular Weight343.32 g/mol
Exact Mass341.99
IUPAC Name1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
SMILESBrc1ccc([C@H](c2cccs2)N2CCNCC2)s1
InChIInChI=1S/C13H15BrN2S2/c14-12-4-3-11(18-12)13(10-2-1-9-17-10)16-7-5-15-6-8-16/h1-4,9,13,15H,5-8H2/t13-/m0/s1
InChIKeyFTCLDALKTDALIU-ZDUSSCGKSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3668606
1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 92754745
1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 3611704
1-[(5-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 5196811
1-[(S)-(3-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281047
1-[(4-bromophenyl)-(5-bromothiophen-2-yl)methyl]-1,4-diazepane
CID 3695697
1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276089
2,6-dibromo-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171286564
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
1-[(1S)-1-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131553593
1-[(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3800936
1-[(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289046

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine (CID 171276105) is 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine is Brc1ccc([C@H](c2cccs2)N2CCNCC2)s1.
What is the InChIKey of 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is FTCLDALKTDALIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15BrN2S2/c14-12-4-3-11(18-12)13(10-2-1-9-17-10)16-7-5-15-6-8-16/h1-4,9,13,15H,5-8H2/t13-/m0/s1.
What are the key properties of 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 343.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171276105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).