3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine

C7H14FNO2S — CID 130639090

IUPAC3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CC(C)(F)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-7(3,8)5-9/h6H,4-5H2,1-3H3
InChIKeyKKBNUGMVKCCGBH-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.77
Rot. Bonds2

About 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine

3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine (PubChem CID 130639090) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
PubChem CID130639090
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CC(C)(F)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-7(3,8)5-9/h6H,4-5H2,1-3H3
InChIKeyKKBNUGMVKCCGBH-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine 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

Ethylsulfonyl azetidine
CID 70663315
1-Ethylsulfonyl-3,3-difluoroazetidine
CID 122269489
3,3-Difluoro-1-propan-2-ylsulfonylazetidine
CID 122269492
3-Fluoro-1-(2-methylsulfonylethyl)azetidine
CID 123907074
3-Fluoro-3-methyl-1-methylsulfonylazetidine
CID 131151812
1-(2-fluoroethyl)-3-Azetidinesulfonamide
CID 137379999
2-(3-Fluoroazetidin-1-yl)ethanesulfonamide
CID 137516097
1-Tert-butylsulfonyl-3,3-difluoroazetidine
CID 139475227
1-(3,3,3-Trifluoropropylsulfonyl)azetidine
CID 153912884
3-(Fluoromethyl)-1-methyl-3-methylsulfonylazetidine
CID 155466453
3-Fluoro-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831350
1-(2,2-Dimethylpropylsulfonyl)-3,3-difluoroazetidine
CID 167544020

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine (CID 130639090) is 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine is CC(C)S(=O)(=O)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine?
The InChIKey is KKBNUGMVKCCGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-7(3,8)5-9/h6H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine?
3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine has a molecular weight of 195.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 130639090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).