[3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate

C10H19NO4S — CID 86630393

IUPAC[3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate
SMILESCS(=O)(=O)OC1CC(CN2CCOCC2)C1
InChIInChI=1S/C10H19NO4S/c1-16(12,13)15-10-6-9(7-10)8-11-2-4-14-5-3-11/h9-10H,2-8H2,1H3
InChIKeyDTNCEAKFKLECLT-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.07
Rot. Bonds4

About [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate

[3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate (PubChem CID 86630393) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate
PubChem CID86630393
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name[3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate
SMILESCS(=O)(=O)OC1CC(CN2CCOCC2)C1
InChIInChI=1S/C10H19NO4S/c1-16(12,13)15-10-6-9(7-10)8-11-2-4-14-5-3-11/h9-10H,2-8H2,1H3
InChIKeyDTNCEAKFKLECLT-UHFFFAOYSA-N
XLogP0.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate?
The IUPAC name of [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate (CID 86630393) is [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate?
The canonical SMILES for [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate is CS(=O)(=O)OC1CC(CN2CCOCC2)C1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate?
The InChIKey is DTNCEAKFKLECLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-16(12,13)15-10-6-9(7-10)8-11-2-4-14-5-3-11/h9-10H,2-8H2,1H3.
What are the key properties of [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate?
[3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate has a molecular weight of 249.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)cyclobutyl] methanesulfonate is sourced from PubChem (CID 86630393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).