2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

C10H12FNO2S — CID 60523291

IUPAC2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cccc(F)c1
InChIInChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2
InChIKeyRVDJKNWVTKGWCE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.36
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 60523291) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID60523291
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cccc(F)c1
InChIInChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2
InChIKeyRVDJKNWVTKGWCE-UHFFFAOYSA-N
XLogP1.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 60523291) is 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is RVDJKNWVTKGWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 229.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 60523291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).