1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine

C10H15BrN2O2S2 — CID 972089

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2O2S2/c1-2-12-5-7-13(8-6-12)17(14,15)10-4-3-9(11)16-10/h3-4H,2,5-8H2,1H3
InChIKeyFAXKKPXKTXKZNH-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.84
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine

1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine (PubChem CID 972089) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine
PubChem CID972089
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2O2S2/c1-2-12-5-7-13(8-6-12)17(14,15)10-4-3-9(11)16-10/h3-4H,2,5-8H2,1H3
InChIKeyFAXKKPXKTXKZNH-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine (CID 972089) is 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine?
The InChIKey is FAXKKPXKTXKZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c1-2-12-5-7-13(8-6-12)17(14,15)10-4-3-9(11)16-10/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine has a molecular weight of 339.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 972089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).