1-(bromomethylsulfonyl)-2-ethylpiperidine

C8H16BrNO2S — CID 83093366

IUPAC1-(bromomethylsulfonyl)-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)CBr
InChIInChI=1S/C8H16BrNO2S/c1-2-8-5-3-4-6-10(8)13(11,12)7-9/h8H,2-7H2,1H3
InChIKeyGVUBTSAUYRUOQR-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.93
Rot. Bonds3

About 1-(bromomethylsulfonyl)-2-ethylpiperidine

1-(bromomethylsulfonyl)-2-ethylpiperidine (PubChem CID 83093366) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-(bromomethylsulfonyl)-2-ethylpiperidine.

Molecular Properties

Compound Name1-(bromomethylsulfonyl)-2-ethylpiperidine
PubChem CID83093366
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name1-(bromomethylsulfonyl)-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)CBr
InChIInChI=1S/C8H16BrNO2S/c1-2-8-5-3-4-6-10(8)13(11,12)7-9/h8H,2-7H2,1H3
InChIKeyGVUBTSAUYRUOQR-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
(2S)-2-ethyl-1-(2-ethylbutylsulfonyl)azepane
CID 99809995
1-(chloromethylsulfonyl)-2-ethylpyrrolidine
CID 63666632
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine
CID 79585022
2-(bromomethyl)-1-(cyclopropylmethylsulfonyl)azepane
CID 116639693
(2R)-2-ethyl-1-ethylsulfonylazetidine
CID 174287718
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
CID 64988050
2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine
CID 80675919
2-(2-bromoethyl)-1-(methylsulfonylmethylsulfonyl)piperidine
CID 82843290
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylsulfonyl)-2-ethylpiperidine?
The IUPAC name of 1-(bromomethylsulfonyl)-2-ethylpiperidine (CID 83093366) is 1-(bromomethylsulfonyl)-2-ethylpiperidine.
What is the SMILES notation for 1-(bromomethylsulfonyl)-2-ethylpiperidine?
The canonical SMILES for 1-(bromomethylsulfonyl)-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)CBr.
What is the InChIKey of 1-(bromomethylsulfonyl)-2-ethylpiperidine?
The InChIKey is GVUBTSAUYRUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-2-8-5-3-4-6-10(8)13(11,12)7-9/h8H,2-7H2,1H3.
What are the key properties of 1-(bromomethylsulfonyl)-2-ethylpiperidine?
1-(bromomethylsulfonyl)-2-ethylpiperidine has a molecular weight of 270.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylsulfonyl)-2-ethylpiperidine is sourced from PubChem (CID 83093366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).