[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate

C11H21NO3S — CID 123170765

IUPAC[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCC1CN1CCCC1
InChIInChI=1S/C11H21NO3S/c1-16(13,14)15-9-11-5-4-10(11)8-12-6-2-3-7-12/h10-11H,2-9H2,1H3
InChIKeyHYLOYWZWBJFCLT-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.08
Rot. Bonds5

About [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate

[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate (PubChem CID 123170765) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate.

Molecular Properties

Compound Name[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate
PubChem CID123170765
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCC1CN1CCCC1
InChIInChI=1S/C11H21NO3S/c1-16(13,14)15-9-11-5-4-10(11)8-12-6-2-3-7-12/h10-11H,2-9H2,1H3
InChIKeyHYLOYWZWBJFCLT-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.08
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 [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate?
The IUPAC name of [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate (CID 123170765) is [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate.
What is the SMILES notation for [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate?
The canonical SMILES for [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate is CS(=O)(=O)OCC1CCC1CN1CCCC1.
What is the InChIKey of [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate?
The InChIKey is HYLOYWZWBJFCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-16(13,14)15-9-11-5-4-10(11)8-12-6-2-3-7-12/h10-11H,2-9H2,1H3.
What are the key properties of [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate?
[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate has a molecular weight of 247.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrrolidin-1-ylmethyl)cyclobutyl]methyl methanesulfonate is sourced from PubChem (CID 123170765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).