2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine

C10H20BrNO2S — CID 80675919

IUPAC2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine
SMILESCC(C)CS(=O)(=O)N1CCCCC1CBr
InChIInChI=1S/C10H20BrNO2S/c1-9(2)8-15(13,14)12-6-4-3-5-10(12)7-11/h9-10H,3-8H2,1-2H3
InChIKeyOFLXKULQANFNHF-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.22
Rot. Bonds4

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

2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine (PubChem CID 80675919) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine
PubChem CID80675919
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC Name2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine
SMILESCC(C)CS(=O)(=O)N1CCCCC1CBr
InChIInChI=1S/C10H20BrNO2S/c1-9(2)8-15(13,14)12-6-4-3-5-10(12)7-11/h9-10H,3-8H2,1-2H3
InChIKeyOFLXKULQANFNHF-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.22
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

2-(bromomethyl)-1-(cyclopropylmethylsulfonyl)azepane
CID 116639693
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine
CID 79585022
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
(2S)-2-ethyl-1-(2-ethylbutylsulfonyl)azepane
CID 99809995
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173
2-(2-bromoethyl)-1-(methylsulfonylmethylsulfonyl)piperidine
CID 82843290
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
2-(bromomethyl)-1-(2-methylpropyl)azepane
CID 116638294
[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
CID 111439868
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
CID 64988050

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine?
The IUPAC name of 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine (CID 80675919) is 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine?
The canonical SMILES for 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine is CC(C)CS(=O)(=O)N1CCCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine?
The InChIKey is OFLXKULQANFNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-9(2)8-15(13,14)12-6-4-3-5-10(12)7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine?
2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine has a molecular weight of 298.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2-methylpropylsulfonyl)piperidine is sourced from PubChem (CID 80675919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).