1-tert-butyl-3-tert-butylsulfonylazetidine

C11H23NO2S — CID 59522777

IUPAC1-tert-butyl-3-tert-butylsulfonylazetidine
SMILESCC(C)(C)N1CC(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C11H23NO2S/c1-10(2,3)12-7-9(8-12)15(13,14)11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyNXRXBZNQNYCNNX-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.68
Rot. Bonds1

About 1-tert-butyl-3-tert-butylsulfonylazetidine

1-tert-butyl-3-tert-butylsulfonylazetidine (PubChem CID 59522777) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-tert-butyl-3-tert-butylsulfonylazetidine.

Molecular Properties

Compound Name1-tert-butyl-3-tert-butylsulfonylazetidine
PubChem CID59522777
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-tert-butyl-3-tert-butylsulfonylazetidine
SMILESCC(C)(C)N1CC(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C11H23NO2S/c1-10(2,3)12-7-9(8-12)15(13,14)11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyNXRXBZNQNYCNNX-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-tert-butylsulfonylazetidine?
The IUPAC name of 1-tert-butyl-3-tert-butylsulfonylazetidine (CID 59522777) is 1-tert-butyl-3-tert-butylsulfonylazetidine.
What is the SMILES notation for 1-tert-butyl-3-tert-butylsulfonylazetidine?
The canonical SMILES for 1-tert-butyl-3-tert-butylsulfonylazetidine is CC(C)(C)N1CC(S(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-tert-butylsulfonylazetidine?
The InChIKey is NXRXBZNQNYCNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2,3)12-7-9(8-12)15(13,14)11(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-3-tert-butylsulfonylazetidine?
1-tert-butyl-3-tert-butylsulfonylazetidine has a molecular weight of 233.38 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-tert-butylsulfonylazetidine is sourced from PubChem (CID 59522777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).