4-bromo-1-methylsulfonylpiperidin-3-ol

C6H12BrNO3S — CID 13042967

IUPAC4-bromo-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC(Br)C(O)C1
InChIInChI=1S/C6H12BrNO3S/c1-12(10,11)8-3-2-5(7)6(9)4-8/h5-6,9H,2-4H2,1H3
InChIKeyPXONPVUZTHHVGF-UHFFFAOYSA-N
MW258.14 g/mol
LogP-0.22
Rot. Bonds1

About 4-bromo-1-methylsulfonylpiperidin-3-ol

4-bromo-1-methylsulfonylpiperidin-3-ol (PubChem CID 13042967) has the molecular formula C6H12BrNO3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 4-bromo-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name4-bromo-1-methylsulfonylpiperidin-3-ol
PubChem CID13042967
Molecular FormulaC6H12BrNO3S
Molecular Weight258.14 g/mol
Exact Mass256.97
IUPAC Name4-bromo-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC(Br)C(O)C1
InChIInChI=1S/C6H12BrNO3S/c1-12(10,11)8-3-2-5(7)6(9)4-8/h5-6,9H,2-4H2,1H3
InChIKeyPXONPVUZTHHVGF-UHFFFAOYSA-N
XLogP-0.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
4-azido-1-methylsulfonylpiperidin-3-ol
CID 21070649
1-(4-bromo-3-hydroxypiperidin-1-yl)ethanone
CID 117273082
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
4-bromo-3-methyl-1-(methylsulfonylmethylsulfonyl)piperidine
CID 114683761
1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
CID 82843149
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
3-methyl-1-methylsulfonylpiperidin-4-amine
CID 67385582

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of 4-bromo-1-methylsulfonylpiperidin-3-ol (CID 13042967) is 4-bromo-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for 4-bromo-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for 4-bromo-1-methylsulfonylpiperidin-3-ol is CS(=O)(=O)N1CCC(Br)C(O)C1.
What is the InChIKey of 4-bromo-1-methylsulfonylpiperidin-3-ol?
The InChIKey is PXONPVUZTHHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO3S/c1-12(10,11)8-3-2-5(7)6(9)4-8/h5-6,9H,2-4H2,1H3.
What are the key properties of 4-bromo-1-methylsulfonylpiperidin-3-ol?
4-bromo-1-methylsulfonylpiperidin-3-ol has a molecular weight of 258.14 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 13042967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).