(1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride

C5H10FNO4S2 — CID 138989252

IUPAC(1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride
SMILESCS(=O)(=O)N1CC(CS(=O)(=O)F)C1
InChIInChI=1S/C5H10FNO4S2/c1-12(8,9)7-2-5(3-7)4-13(6,10)11/h5H,2-4H2,1H3
InChIKeyXPJQIXYOQMJTKD-UHFFFAOYSA-N
MW231.27 g/mol
LogP-0.82
Rot. Bonds3

About (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride

(1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride (PubChem CID 138989252) has the molecular formula C5H10FNO4S2 and a molecular weight of 231.27 g/mol. Its IUPAC name is (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride
PubChem CID138989252
Molecular FormulaC5H10FNO4S2
Molecular Weight231.27 g/mol
Exact Mass231.00
IUPAC Name(1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride
SMILESCS(=O)(=O)N1CC(CS(=O)(=O)F)C1
InChIInChI=1S/C5H10FNO4S2/c1-12(8,9)7-2-5(3-7)4-13(6,10)11/h5H,2-4H2,1H3
InChIKeyXPJQIXYOQMJTKD-UHFFFAOYSA-N
XLogP-0.82
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride 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-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride (CID 138989252) is (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride is CS(=O)(=O)N1CC(CS(=O)(=O)F)C1.
What is the InChIKey of (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride?
The InChIKey is XPJQIXYOQMJTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO4S2/c1-12(8,9)7-2-5(3-7)4-13(6,10)11/h5H,2-4H2,1H3.
What are the key properties of (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride?
(1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride has a molecular weight of 231.27 g/mol, XLogP of -0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylazetidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 138989252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).