3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide

C14H18FNO2S — CID 79451195

IUPAC3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(C2(Cc3cccc(F)c3)CNC2)C1
InChIInChI=1S/C14H18FNO2S/c15-13-3-1-2-11(6-13)7-14(9-16-10-14)12-4-5-19(17,18)8-12/h1-3,6,12,16H,4-5,7-10H2
InChIKeyJQADGJRKJVKQHZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.39
Rot. Bonds3

About 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide

3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide (PubChem CID 79451195) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
PubChem CID79451195
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(C2(Cc3cccc(F)c3)CNC2)C1
InChIInChI=1S/C14H18FNO2S/c15-13-3-1-2-11(6-13)7-14(9-16-10-14)12-4-5-19(17,18)8-12/h1-3,6,12,16H,4-5,7-10H2
InChIKeyJQADGJRKJVKQHZ-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide (CID 79451195) is 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(C2(Cc3cccc(F)c3)CNC2)C1.
What is the InChIKey of 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The InChIKey is JQADGJRKJVKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-13-3-1-2-11(6-13)7-14(9-16-10-14)12-4-5-19(17,18)8-12/h1-3,6,12,16H,4-5,7-10H2.
What are the key properties of 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide has a molecular weight of 283.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-fluorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 79451195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).