1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine

C7H12FNO2S — CID 131131845

IUPAC1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine
SMILESCC1(F)CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C7H12FNO2S/c1-7(8)4-9(5-7)12(10,11)6-2-3-6/h6H,2-5H2,1H3
InChIKeyXACPDHPXXGXCEK-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.52
Rot. Bonds2

About 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine

1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine (PubChem CID 131131845) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine
PubChem CID131131845
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Name1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine
SMILESCC1(F)CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C7H12FNO2S/c1-7(8)4-9(5-7)12(10,11)6-2-3-6/h6H,2-5H2,1H3
InChIKeyXACPDHPXXGXCEK-UHFFFAOYSA-N
XLogP0.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropylsulfonyl-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

Related Compounds

1-Ethylsulfonyl-3,3-difluoroazetidine
CID 122269489
3,3-Difluoro-1-propan-2-ylsulfonylazetidine
CID 122269492
3-Fluoro-3-methyl-1-methylsulfonylazetidine
CID 131151812
1-(2,2-Dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine
CID 167557218
1-(Cyclopropylsulfonyl)-3,3-difluoroazetidine
CID 122269491
3,3-Difluoro-1-(isobutylsulfonyl)azetidine
CID 122269503
3-Fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
CID 130639090
3-Fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine
CID 130657588
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035
1-Tert-butylsulfonyl-3-fluoro-3-methylazetidine
CID 157343361
1-[1-(Cyclopropanesulfonyl)-3-fluoroazetidin-3-yl]methanamine
CID 165848067

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine (CID 131131845) is 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine is CC1(F)CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine?
The InChIKey is XACPDHPXXGXCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c1-7(8)4-9(5-7)12(10,11)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine?
1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine has a molecular weight of 193.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-fluoro-3-methylazetidine is sourced from PubChem (CID 131131845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).