1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine

C13H15ClN2S2 — CID 92754745

IUPAC1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
SMILESClc1ccc([C@@H](c2cccs2)N2CCNCC2)s1
InChIInChI=1S/C13H15ClN2S2/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-/m1/s1
InChIKeyWTUFTMXCHMKTFJ-CYBMUJFWSA-N
MW298.86 g/mol
LogP3.46
Rot. Bonds3

About 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine

1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine (PubChem CID 92754745) has the molecular formula C13H15ClN2S2 and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
PubChem CID92754745
Molecular FormulaC13H15ClN2S2
Molecular Weight298.86 g/mol
Exact Mass298.04
IUPAC Name1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
SMILESClc1ccc([C@@H](c2cccs2)N2CCNCC2)s1
InChIInChI=1S/C13H15ClN2S2/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-/m1/s1
InChIKeyWTUFTMXCHMKTFJ-CYBMUJFWSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 171276105
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3668606
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5238148
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171178496
1-[(S)-(2-chloro-3,6-difluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171177115
1-[(R)-(5-chlorothiophen-2-yl)-(3,6-dichloro-2-fluorophenyl)methyl]piperazine;hydrochloride
CID 171181447
1-[(5-chlorothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 3732982
1-[(5-chlorothiophen-2-yl)-(4-ethylphenyl)methyl]piperazine
CID 4015812

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine (CID 92754745) is 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine is Clc1ccc([C@@H](c2cccs2)N2CCNCC2)s1.
What is the InChIKey of 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is WTUFTMXCHMKTFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15ClN2S2/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-/m1/s1.
What are the key properties of 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 298.86 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 92754745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).