1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine

C10H14Br2N2O2S2 — CID 4082143

IUPAC1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C10H14Br2N2O2S2/c1-2-13-3-5-14(6-4-13)18(15,16)9-7-8(11)10(12)17-9/h7H,2-6H2,1H3
InChIKeyFORNVHKHKGTEFC-UHFFFAOYSA-N
MW418.18 g/mol
LogP2.60
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine

1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine (PubChem CID 4082143) has the molecular formula C10H14Br2N2O2S2 and a molecular weight of 418.18 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine
PubChem CID4082143
Molecular FormulaC10H14Br2N2O2S2
Molecular Weight418.18 g/mol
Exact Mass415.89
IUPAC Name1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C10H14Br2N2O2S2/c1-2-13-3-5-14(6-4-13)18(15,16)9-7-8(11)10(12)17-9/h7H,2-6H2,1H3
InChIKeyFORNVHKHKGTEFC-UHFFFAOYSA-N
XLogP2.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine (CID 4082143) is 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine?
The InChIKey is FORNVHKHKGTEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S2/c1-2-13-3-5-14(6-4-13)18(15,16)9-7-8(11)10(12)17-9/h7H,2-6H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine?
1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine has a molecular weight of 418.18 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 4082143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).