3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide

C8H14FNO2S — CID 131019930

IUPAC3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(N2CC(F)C2)C1
InChIInChI=1S/C8H14FNO2S/c9-7-4-10(5-7)8-2-1-3-13(11,12)6-8/h7-8H,1-6H2
InChIKeyFBZFGTGTSGHDOS-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.22
Rot. Bonds1

About 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide

3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide (PubChem CID 131019930) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide
PubChem CID131019930
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(N2CC(F)C2)C1
InChIInChI=1S/C8H14FNO2S/c9-7-4-10(5-7)8-2-1-3-13(11,12)6-8/h7-8H,1-6H2
InChIKeyFBZFGTGTSGHDOS-UHFFFAOYSA-N
XLogP0.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-Dioxido-3-thietanyl)piperidine
CID 282208
4-(3-Fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
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(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348666
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
(3S)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348668
(3R)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348669
N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine
CID 130611592
3-Fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
CID 130684643
4-[[2-(Difluoromethyl)azetidin-1-yl]methyl]thiane 1,1-dioxide
CID 137957059
4-(2-Fluorocyclobutyl)-1lambda6-thiomorpholine-1,1-dione
CID 168021751
4-(3-Methylazetidin-1-yl)thiane 1,1-dioxide
CID 68044455
6-Propan-2-yl-3lambda6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide
CID 117866498

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide (CID 131019930) is 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide is O=S1(=O)CCCC(N2CC(F)C2)C1.
What is the InChIKey of 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide?
The InChIKey is FBZFGTGTSGHDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c9-7-4-10(5-7)8-2-1-3-13(11,12)6-8/h7-8H,1-6H2.
What are the key properties of 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide?
3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide has a molecular weight of 207.27 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidin-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 131019930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).