(1-cyclobutylpiperidin-4-yl) methanesulfonate

C10H19NO3S — CID 58155464

IUPAC(1-cyclobutylpiperidin-4-yl) methanesulfonate
SMILESCS(=O)(=O)OC1CCN(C2CCC2)CC1
InChIInChI=1S/C10H19NO3S/c1-15(12,13)14-10-5-7-11(8-6-10)9-3-2-4-9/h9-10H,2-8H2,1H3
InChIKeyCPVKBDWQCAVXRM-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.98
Rot. Bonds3

About (1-cyclobutylpiperidin-4-yl) methanesulfonate

(1-cyclobutylpiperidin-4-yl) methanesulfonate (PubChem CID 58155464) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is (1-cyclobutylpiperidin-4-yl) methanesulfonate.

Molecular Properties

Compound Name(1-cyclobutylpiperidin-4-yl) methanesulfonate
PubChem CID58155464
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name(1-cyclobutylpiperidin-4-yl) methanesulfonate
SMILESCS(=O)(=O)OC1CCN(C2CCC2)CC1
InChIInChI=1S/C10H19NO3S/c1-15(12,13)14-10-5-7-11(8-6-10)9-3-2-4-9/h9-10H,2-8H2,1H3
InChIKeyCPVKBDWQCAVXRM-UHFFFAOYSA-N
XLogP0.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
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 (1-cyclobutylpiperidin-4-yl) methanesulfonate?
The IUPAC name of (1-cyclobutylpiperidin-4-yl) methanesulfonate (CID 58155464) is (1-cyclobutylpiperidin-4-yl) methanesulfonate.
What is the SMILES notation for (1-cyclobutylpiperidin-4-yl) methanesulfonate?
The canonical SMILES for (1-cyclobutylpiperidin-4-yl) methanesulfonate is CS(=O)(=O)OC1CCN(C2CCC2)CC1.
What is the InChIKey of (1-cyclobutylpiperidin-4-yl) methanesulfonate?
The InChIKey is CPVKBDWQCAVXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-15(12,13)14-10-5-7-11(8-6-10)9-3-2-4-9/h9-10H,2-8H2,1H3.
What are the key properties of (1-cyclobutylpiperidin-4-yl) methanesulfonate?
(1-cyclobutylpiperidin-4-yl) methanesulfonate has a molecular weight of 233.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpiperidin-4-yl) methanesulfonate is sourced from PubChem (CID 58155464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).