1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine

C9H18FNO2S — CID 167557218

IUPAC1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine
SMILESCC(C)(C)CS(=O)(=O)N1CC(C)(F)C1
InChIInChI=1S/C9H18FNO2S/c1-8(2,3)7-14(12,13)11-5-9(4,10)6-11/h5-7H2,1-4H3
InChIKeyHTYPAAAJMPRCQN-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.41
Rot. Bonds2

About 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine

1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine (PubChem CID 167557218) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine
PubChem CID167557218
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine
SMILESCC(C)(C)CS(=O)(=O)N1CC(C)(F)C1
InChIInChI=1S/C9H18FNO2S/c1-8(2,3)7-14(12,13)11-5-9(4,10)6-11/h5-7H2,1-4H3
InChIKeyHTYPAAAJMPRCQN-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine 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-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine?
The IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine (CID 167557218) is 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine is CC(C)(C)CS(=O)(=O)N1CC(C)(F)C1.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine?
The InChIKey is HTYPAAAJMPRCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8(2,3)7-14(12,13)11-5-9(4,10)6-11/h5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine?
1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine has a molecular weight of 223.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine is sourced from PubChem (CID 167557218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).