1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol

C7H14BrNO3S — CID 130802766

IUPAC1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol
SMILESCC1CC(O)CN(S(=O)(=O)CBr)C1
InChIInChI=1S/C7H14BrNO3S/c1-6-2-7(10)4-9(3-6)13(11,12)5-8/h6-7,10H,2-5H2,1H3
InChIKeyBPIGVSBGDILGAQ-UHFFFAOYSA-N
MW272.16 g/mol
LogP0.37
Rot. Bonds2

About 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol

1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol (PubChem CID 130802766) has the molecular formula C7H14BrNO3S and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol
PubChem CID130802766
Molecular FormulaC7H14BrNO3S
Molecular Weight272.16 g/mol
Exact Mass270.99
IUPAC Name1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol
SMILESCC1CC(O)CN(S(=O)(=O)CBr)C1
InChIInChI=1S/C7H14BrNO3S/c1-6-2-7(10)4-9(3-6)13(11,12)5-8/h6-7,10H,2-5H2,1H3
InChIKeyBPIGVSBGDILGAQ-UHFFFAOYSA-N
XLogP0.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol?
The IUPAC name of 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol (CID 130802766) is 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol.
What is the SMILES notation for 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol?
The canonical SMILES for 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol is CC1CC(O)CN(S(=O)(=O)CBr)C1.
What is the InChIKey of 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol?
The InChIKey is BPIGVSBGDILGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO3S/c1-6-2-7(10)4-9(3-6)13(11,12)5-8/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol?
1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol has a molecular weight of 272.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylsulfonyl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 130802766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).