hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid

C7H15NO4S — CID 59075948

IUPAChydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid
SMILESCN1CCCC[C@@H]1C(O)S(=O)(=O)O
InChIInChI=1S/C7H15NO4S/c1-8-5-3-2-4-6(8)7(9)13(10,11)12/h6-7,9H,2-5H2,1H3,(H,10,11,12)/t6-,7?/m1/s1
InChIKeyHXJMJVSMKKJLBZ-ULUSZKPHSA-N
MW209.27 g/mol
LogP-0.32
Rot. Bonds2

About hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid

hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid (PubChem CID 59075948) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid.

Molecular Properties

Compound Namehydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid
PubChem CID59075948
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namehydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid
SMILESCN1CCCC[C@@H]1C(O)S(=O)(=O)O
InChIInChI=1S/C7H15NO4S/c1-8-5-3-2-4-6(8)7(9)13(10,11)12/h6-7,9H,2-5H2,1H3,(H,10,11,12)/t6-,7?/m1/s1
InChIKeyHXJMJVSMKKJLBZ-ULUSZKPHSA-N
XLogP-0.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid?
The IUPAC name of hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid (CID 59075948) is hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid.
What is the SMILES notation for hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid?
The canonical SMILES for hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid is CN1CCCC[C@@H]1C(O)S(=O)(=O)O.
What is the InChIKey of hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid?
The InChIKey is HXJMJVSMKKJLBZ-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-8-5-3-2-4-6(8)7(9)13(10,11)12/h6-7,9H,2-5H2,1H3,(H,10,11,12)/t6-,7?/m1/s1.
What are the key properties of hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid?
hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid has a molecular weight of 209.27 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid is sourced from PubChem (CID 59075948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).