1-(bromomethylsulfonyl)-2,6-dimethylpiperidine

C8H16BrNO2S — CID 83085192

IUPAC1-(bromomethylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)CBr
InChIInChI=1S/C8H16BrNO2S/c1-7-4-3-5-8(2)10(7)13(11,12)6-9/h7-8H,3-6H2,1-2H3
InChIKeyLSFNJNZLXYSCFZ-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.93
Rot. Bonds2

About 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine

1-(bromomethylsulfonyl)-2,6-dimethylpiperidine (PubChem CID 83085192) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(bromomethylsulfonyl)-2,6-dimethylpiperidine
PubChem CID83085192
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name1-(bromomethylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)CBr
InChIInChI=1S/C8H16BrNO2S/c1-7-4-3-5-8(2)10(7)13(11,12)6-9/h7-8H,3-6H2,1-2H3
InChIKeyLSFNJNZLXYSCFZ-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol
CID 104967953
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol
CID 104969044
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(bromomethylsulfonyl)-2,3-dimethylpiperidine
CID 83085659
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethoxy]aniline
CID 104966974
6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid
CID 130693813
2-(aminomethyl)-N-cyclopropyl-6-methylpiperidine-1-sulfonamide
CID 114810836
(1R,5S)-8-(bromomethylsulfonyl)-3-methylidene-8-azabicyclo[3.2.1]octane
CID 10755166
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
[5-bromo-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 104969086

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine?
The IUPAC name of 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine (CID 83085192) is 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine?
The canonical SMILES for 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine is CC1CCCC(C)N1S(=O)(=O)CBr.
What is the InChIKey of 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine?
The InChIKey is LSFNJNZLXYSCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-7-4-3-5-8(2)10(7)13(11,12)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine?
1-(bromomethylsulfonyl)-2,6-dimethylpiperidine has a molecular weight of 270.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylsulfonyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 83085192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).