2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine

C10H20BrNO2S — CID 106731157

IUPAC2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
SMILESCCS(=O)(=O)CCN1CCCCC1CBr
InChIInChI=1S/C10H20BrNO2S/c1-2-15(13,14)8-7-12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeySYADIQYQDSJVMQ-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.67
Rot. Bonds5

About 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine

2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine (PubChem CID 106731157) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
PubChem CID106731157
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC Name2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
SMILESCCS(=O)(=O)CCN1CCCCC1CBr
InChIInChI=1S/C10H20BrNO2S/c1-2-15(13,14)8-7-12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeySYADIQYQDSJVMQ-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-heptylpiperidine
CID 80673779
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
CID 103857735
2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide
CID 56526172
2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384
2-(bromomethyl)-1-(3-pyrrolidin-1-ylpropyl)azepane
CID 116638388
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane
CID 64852031
2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80675460
2-(bromomethyl)-1-(2-methylpropyl)azepane
CID 116638294
2-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]azepane
CID 116638332
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine?
The IUPAC name of 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine (CID 106731157) is 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine?
The canonical SMILES for 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine is CCS(=O)(=O)CCN1CCCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine?
The InChIKey is SYADIQYQDSJVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-2-15(13,14)8-7-12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3.
What are the key properties of 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine?
2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine has a molecular weight of 298.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine is sourced from PubChem (CID 106731157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).