N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide

C6H13FN2O2S — CID 169240135

IUPACN-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@H]1NC[C@H]1F
InChIInChI=1S/C6H13FN2O2S/c1-2-12(10,11)9-4-6-5(7)3-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySGMNJXVFLUCITC-PHDIDXHHSA-N
MW196.25 g/mol
LogP-0.76
Rot. Bonds4

About N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide

N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide (PubChem CID 169240135) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide
PubChem CID169240135
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC NameN-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@H]1NC[C@H]1F
InChIInChI=1S/C6H13FN2O2S/c1-2-12(10,11)9-4-6-5(7)3-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySGMNJXVFLUCITC-PHDIDXHHSA-N
XLogP-0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide (CID 169240135) is N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NC[C@H]1NC[C@H]1F.
What is the InChIKey of N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide?
The InChIKey is SGMNJXVFLUCITC-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c1-2-12(10,11)9-4-6-5(7)3-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide?
N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide has a molecular weight of 196.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 169240135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).