1-(bromomethylsulfonyl)-2,3-dimethylpiperidine

C8H16BrNO2S — CID 83085659

IUPAC1-(bromomethylsulfonyl)-2,3-dimethylpiperidine
SMILESCC1CCCN(S(=O)(=O)CBr)C1C
InChIInChI=1S/C8H16BrNO2S/c1-7-4-3-5-10(8(7)2)13(11,12)6-9/h7-8H,3-6H2,1-2H3
InChIKeyVTRLOAYGAMQKCC-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.79
Rot. Bonds2

About 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine

1-(bromomethylsulfonyl)-2,3-dimethylpiperidine (PubChem CID 83085659) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine.

Molecular Properties

Compound Name1-(bromomethylsulfonyl)-2,3-dimethylpiperidine
PubChem CID83085659
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name1-(bromomethylsulfonyl)-2,3-dimethylpiperidine
SMILESCC1CCCN(S(=O)(=O)CBr)C1C
InChIInChI=1S/C8H16BrNO2S/c1-7-4-3-5-10(8(7)2)13(11,12)6-9/h7-8H,3-6H2,1-2H3
InChIKeyVTRLOAYGAMQKCC-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-(chloromethylsulfonyl)-2,3-dimethylpiperidine
CID 63666234
(2R,3S)-1-(4-methoxybutylsulfonyl)-2,3-dimethylpiperidine
CID 124617691
1-(bromomethylsulfonyl)-2,3,5-trimethylpiperidine
CID 114594667
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
2-(2-bromoethyl)-3-methyl-1-methylsulfonylpiperidine
CID 164645244
2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine
CID 130964385
2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid
CID 130834658
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-2-carboxylic acid
CID 107070042
1-(2-hydroxyethylsulfonyl)-2-methylpiperidin-3-ol
CID 131137856
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62147056

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine?
The IUPAC name of 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine (CID 83085659) is 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine.
What is the SMILES notation for 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine?
The canonical SMILES for 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine is CC1CCCN(S(=O)(=O)CBr)C1C.
What is the InChIKey of 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine?
The InChIKey is VTRLOAYGAMQKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-7-4-3-5-10(8(7)2)13(11,12)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine?
1-(bromomethylsulfonyl)-2,3-dimethylpiperidine has a molecular weight of 270.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylsulfonyl)-2,3-dimethylpiperidine is sourced from PubChem (CID 83085659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).