1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine

C9H19NO2S — CID 118596345

IUPAC1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine
SMILESCC(C)(C)CN1CC(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)7-10-5-8(6-10)13(4,11)12/h8H,5-7H2,1-4H3
InChIKeyUIAPQEHOXNWMEX-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine

1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine (PubChem CID 118596345) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine
PubChem CID118596345
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine
SMILESCC(C)(C)CN1CC(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)7-10-5-8(6-10)13(4,11)12/h8H,5-7H2,1-4H3
InChIKeyUIAPQEHOXNWMEX-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine (CID 118596345) is 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine is CC(C)(C)CN1CC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine?
The InChIKey is UIAPQEHOXNWMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)7-10-5-8(6-10)13(4,11)12/h8H,5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine?
1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine has a molecular weight of 205.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methylsulfonylazetidine is sourced from PubChem (CID 118596345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).