1-cyclobutylsulfonylazetidine

C7H13NO2S — CID 66748702

IUPAC1-cyclobutylsulfonylazetidine
SMILESO=S(=O)(C1CCC1)N1CCC1
InChIInChI=1S/C7H13NO2S/c9-11(10,7-3-1-4-7)8-5-2-6-8/h7H,1-6H2
InChIKeyNIPJFUAFVGNGMQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.57
Rot. Bonds2

About 1-cyclobutylsulfonylazetidine

1-cyclobutylsulfonylazetidine (PubChem CID 66748702) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-cyclobutylsulfonylazetidine.

Molecular Properties

Compound Name1-cyclobutylsulfonylazetidine
PubChem CID66748702
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-cyclobutylsulfonylazetidine
SMILESO=S(=O)(C1CCC1)N1CCC1
InChIInChI=1S/C7H13NO2S/c9-11(10,7-3-1-4-7)8-5-2-6-8/h7H,1-6H2
InChIKeyNIPJFUAFVGNGMQ-UHFFFAOYSA-N
XLogP0.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylsulfonylazetidine?
The IUPAC name of 1-cyclobutylsulfonylazetidine (CID 66748702) is 1-cyclobutylsulfonylazetidine.
What is the SMILES notation for 1-cyclobutylsulfonylazetidine?
The canonical SMILES for 1-cyclobutylsulfonylazetidine is O=S(=O)(C1CCC1)N1CCC1.
What is the InChIKey of 1-cyclobutylsulfonylazetidine?
The InChIKey is NIPJFUAFVGNGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10,7-3-1-4-7)8-5-2-6-8/h7H,1-6H2.
What are the key properties of 1-cyclobutylsulfonylazetidine?
1-cyclobutylsulfonylazetidine has a molecular weight of 175.25 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylsulfonylazetidine is sourced from PubChem (CID 66748702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).