3-tert-butyl-1-methyl-3-methylsulfonylazetidine

C9H19NO2S — CID 126763963

IUPAC3-tert-butyl-1-methyl-3-methylsulfonylazetidine
SMILESCN1CC(C(C)(C)C)(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-8(2,3)9(13(5,11)12)6-10(4)7-9/h6-7H2,1-5H3
InChIKeySTZBSRDNYOYDIA-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds1

About 3-tert-butyl-1-methyl-3-methylsulfonylazetidine

3-tert-butyl-1-methyl-3-methylsulfonylazetidine (PubChem CID 126763963) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-3-methylsulfonylazetidine.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-3-methylsulfonylazetidine
PubChem CID126763963
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-tert-butyl-1-methyl-3-methylsulfonylazetidine
SMILESCN1CC(C(C)(C)C)(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-8(2,3)9(13(5,11)12)6-10(4)7-9/h6-7H2,1-5H3
InChIKeySTZBSRDNYOYDIA-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-3-methylsulfonylazetidine?
The IUPAC name of 3-tert-butyl-1-methyl-3-methylsulfonylazetidine (CID 126763963) is 3-tert-butyl-1-methyl-3-methylsulfonylazetidine.
What is the SMILES notation for 3-tert-butyl-1-methyl-3-methylsulfonylazetidine?
The canonical SMILES for 3-tert-butyl-1-methyl-3-methylsulfonylazetidine is CN1CC(C(C)(C)C)(S(C)(=O)=O)C1.
What is the InChIKey of 3-tert-butyl-1-methyl-3-methylsulfonylazetidine?
The InChIKey is STZBSRDNYOYDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2,3)9(13(5,11)12)6-10(4)7-9/h6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-1-methyl-3-methylsulfonylazetidine?
3-tert-butyl-1-methyl-3-methylsulfonylazetidine has a molecular weight of 205.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-3-methylsulfonylazetidine is sourced from PubChem (CID 126763963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).