1-tert-butylsulfonylazetidine

C7H15NO2S — CID 59519357

IUPAC1-tert-butylsulfonylazetidine
SMILESCC(C)(C)S(=O)(=O)N1CCC1
InChIInChI=1S/C7H15NO2S/c1-7(2,3)11(9,10)8-5-4-6-8/h4-6H2,1-3H3
InChIKeyWCMZAUMQRLVJFI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds1

About 1-tert-butylsulfonylazetidine

1-tert-butylsulfonylazetidine (PubChem CID 59519357) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-tert-butylsulfonylazetidine.

Molecular Properties

Compound Name1-tert-butylsulfonylazetidine
PubChem CID59519357
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-tert-butylsulfonylazetidine
SMILESCC(C)(C)S(=O)(=O)N1CCC1
InChIInChI=1S/C7H15NO2S/c1-7(2,3)11(9,10)8-5-4-6-8/h4-6H2,1-3H3
InChIKeyWCMZAUMQRLVJFI-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonylazetidine?
The IUPAC name of 1-tert-butylsulfonylazetidine (CID 59519357) is 1-tert-butylsulfonylazetidine.
What is the SMILES notation for 1-tert-butylsulfonylazetidine?
The canonical SMILES for 1-tert-butylsulfonylazetidine is CC(C)(C)S(=O)(=O)N1CCC1.
What is the InChIKey of 1-tert-butylsulfonylazetidine?
The InChIKey is WCMZAUMQRLVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2,3)11(9,10)8-5-4-6-8/h4-6H2,1-3H3.
What are the key properties of 1-tert-butylsulfonylazetidine?
1-tert-butylsulfonylazetidine has a molecular weight of 177.27 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonylazetidine is sourced from PubChem (CID 59519357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).