2-(2-bromoethyl)-1-methylsulfonylpiperidine

C8H16BrNO2S — CID 79022476

IUPAC2-(2-bromoethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCCC1CCBr
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3
InChIKeyFJPPZEAHHADHSG-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.59
Rot. Bonds3

About 2-(2-bromoethyl)-1-methylsulfonylpiperidine

2-(2-bromoethyl)-1-methylsulfonylpiperidine (PubChem CID 79022476) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-methylsulfonylpiperidine
PubChem CID79022476
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name2-(2-bromoethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCCC1CCBr
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3
InChIKeyFJPPZEAHHADHSG-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-methylsulfonylpiperidine?
The IUPAC name of 2-(2-bromoethyl)-1-methylsulfonylpiperidine (CID 79022476) is 2-(2-bromoethyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCCC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1-methylsulfonylpiperidine?
The InChIKey is FJPPZEAHHADHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3.
What are the key properties of 2-(2-bromoethyl)-1-methylsulfonylpiperidine?
2-(2-bromoethyl)-1-methylsulfonylpiperidine has a molecular weight of 270.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 79022476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).