[(3R)-piperidin-3-yl]methyl methanesulfonate

C7H15NO3S — CID 86339871

IUPAC[(3R)-piperidin-3-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@@H]1CCCNC1
InChIInChI=1S/C7H15NO3S/c1-12(9,10)11-6-7-3-2-4-8-5-7/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyWVJYYXZISOKSCL-SSDOTTSWSA-N
MW193.27 g/mol
LogP-0.04
Rot. Bonds3

About [(3R)-piperidin-3-yl]methyl methanesulfonate

[(3R)-piperidin-3-yl]methyl methanesulfonate (PubChem CID 86339871) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is [(3R)-piperidin-3-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(3R)-piperidin-3-yl]methyl methanesulfonate
PubChem CID86339871
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name[(3R)-piperidin-3-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@@H]1CCCNC1
InChIInChI=1S/C7H15NO3S/c1-12(9,10)11-6-7-3-2-4-8-5-7/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyWVJYYXZISOKSCL-SSDOTTSWSA-N
XLogP-0.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-piperidin-3-yl]methyl methanesulfonate?
The IUPAC name of [(3R)-piperidin-3-yl]methyl methanesulfonate (CID 86339871) is [(3R)-piperidin-3-yl]methyl methanesulfonate.
What is the SMILES notation for [(3R)-piperidin-3-yl]methyl methanesulfonate?
The canonical SMILES for [(3R)-piperidin-3-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@@H]1CCCNC1.
What is the InChIKey of [(3R)-piperidin-3-yl]methyl methanesulfonate?
The InChIKey is WVJYYXZISOKSCL-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12(9,10)11-6-7-3-2-4-8-5-7/h7-8H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of [(3R)-piperidin-3-yl]methyl methanesulfonate?
[(3R)-piperidin-3-yl]methyl methanesulfonate has a molecular weight of 193.27 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-3-yl]methyl methanesulfonate is sourced from PubChem (CID 86339871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).