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

C10H15BrN2O4S3 — CID 6470800

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2O4S3/c1-2-19(14,15)12-5-7-13(8-6-12)20(16,17)10-4-3-9(11)18-10/h3-4H,2,5-8H2,1H3
InChIKeyPVDIBTDFXAJWNH-UHFFFAOYSA-N
MW403.35 g/mol
LogP1.17
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine (PubChem CID 6470800) has the molecular formula C10H15BrN2O4S3 and a molecular weight of 403.35 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
PubChem CID6470800
Molecular FormulaC10H15BrN2O4S3
Molecular Weight403.35 g/mol
Exact Mass401.94
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H15BrN2O4S3/c1-2-19(14,15)12-5-7-13(8-6-12)20(16,17)10-4-3-9(11)18-10/h3-4H,2,5-8H2,1H3
InChIKeyPVDIBTDFXAJWNH-UHFFFAOYSA-N
XLogP1.17
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-4-butylsulfonylpiperazine
CID 17264581
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9298446
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
1-(5-bromothiophen-2-yl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684961
1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
CID 9442908
1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 19684967
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2018945
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
N-[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8685029
1-(5-bromothiophen-2-yl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094990

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine (CID 6470800) is 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine?
The InChIKey is PVDIBTDFXAJWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4S3/c1-2-19(14,15)12-5-7-13(8-6-12)20(16,17)10-4-3-9(11)18-10/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine has a molecular weight of 403.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 6470800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).