4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione

C8H6Br2N2O4S2 — CID 66083813

IUPAC4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2cc(Br)sc2Br)CC(=O)N1
InChIInChI=1S/C8H6Br2N2O4S2/c9-5-1-4(8(10)17-5)18(15,16)12-2-6(13)11-7(14)3-12/h1H,2-3H2,(H,11,13,14)
InChIKeyUTIDWRCCXJPHDF-UHFFFAOYSA-N
MW418.09 g/mol
LogP0.92
Rot. Bonds2

About 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione

4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione (PubChem CID 66083813) has the molecular formula C8H6Br2N2O4S2 and a molecular weight of 418.09 g/mol. Its IUPAC name is 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione
PubChem CID66083813
Molecular FormulaC8H6Br2N2O4S2
Molecular Weight418.09 g/mol
Exact Mass415.81
IUPAC Name4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2cc(Br)sc2Br)CC(=O)N1
InChIInChI=1S/C8H6Br2N2O4S2/c9-5-1-4(8(10)17-5)18(15,16)12-2-6(13)11-7(14)3-12/h1H,2-3H2,(H,11,13,14)
InChIKeyUTIDWRCCXJPHDF-UHFFFAOYSA-N
XLogP0.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.09
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
CID 60652131
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104976633
2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849983
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084326
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248513
4-(4-amino-2,6-dibromophenyl)sulfonylpiperazine-2,6-dione
CID 66083097
1-(2,5-dibromothiophen-3-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458578
2,5-dibromothiophene-3-sulfonyl chloride
CID 4961868
(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923103
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083027
4-tert-butylsulfonylpiperazine-2,6-dione
CID 66083434
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione?
The IUPAC name of 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione (CID 66083813) is 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione is O=C1CN(S(=O)(=O)c2cc(Br)sc2Br)CC(=O)N1.
What is the InChIKey of 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione?
The InChIKey is UTIDWRCCXJPHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2O4S2/c9-5-1-4(8(10)17-5)18(15,16)12-2-6(13)11-7(14)3-12/h1H,2-3H2,(H,11,13,14).
What are the key properties of 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione?
4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione has a molecular weight of 418.09 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 66083813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).