1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine

C11H23BrN2O2S — CID 106731159

IUPAC1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CCN(CCBr)CC1
InChIInChI=1S/C11H23BrN2O2S/c1-2-10-17(15,16)11-9-14-7-5-13(4-3-12)6-8-14/h2-11H2,1H3
InChIKeyFSZUAJKCNCNXRY-UHFFFAOYSA-N
MW327.29 g/mol
LogP0.82
Rot. Bonds7

About 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine

1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine (PubChem CID 106731159) has the molecular formula C11H23BrN2O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
PubChem CID106731159
Molecular FormulaC11H23BrN2O2S
Molecular Weight327.29 g/mol
Exact Mass326.07
IUPAC Name1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CCN(CCBr)CC1
InChIInChI=1S/C11H23BrN2O2S/c1-2-10-17(15,16)11-9-14-7-5-13(4-3-12)6-8-14/h2-11H2,1H3
InChIKeyFSZUAJKCNCNXRY-UHFFFAOYSA-N
XLogP0.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
CID 12708260
1-Methyl-4-(2-propan-2-ylsulfonylethyl)piperazine
CID 57992591
1-(2-Methylsulfonylethyl)-4-propylpiperazine
CID 59535439
1-Methyl-4-(3-methylsulfonylpropylsulfinyl)piperazine
CID 90367663
N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
CID 91263165
1-Propan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine
CID 126752887
1-(2-Ethylsulfonylethyl)-4-methylpiperazine
CID 129085710
1-[4-(2-Propan-2-ylsulfonylethyl)piperazin-1-yl]ethanethiol
CID 135200121
1-(3-Methylsulfonylpropyl)-4-propylpiperazine
CID 141833663
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine
CID 142030242
1-(3-Ethylsulfonylpropyl)-4-methylpiperazine
CID 176269177
2-(3-bromopropylsulfonyl)-N,N-diethylethanamine
CID 458568

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine (CID 106731159) is 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine?
The InChIKey is FSZUAJKCNCNXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O2S/c1-2-10-17(15,16)11-9-14-7-5-13(4-3-12)6-8-14/h2-11H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine?
1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine has a molecular weight of 327.29 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106731159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).