3-phenyl-1,3-thiazolidine 1,1-dioxide

C9H11NO2S — CID 90274724

IUPAC3-phenyl-1,3-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccccc2)C1
InChIInChI=1S/C9H11NO2S/c11-13(12)7-6-10(8-13)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyUPGKJBMAFHEWHZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.88
Rot. Bonds1

About 3-phenyl-1,3-thiazolidine 1,1-dioxide

3-phenyl-1,3-thiazolidine 1,1-dioxide (PubChem CID 90274724) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-phenyl-1,3-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-phenyl-1,3-thiazolidine 1,1-dioxide
PubChem CID90274724
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name3-phenyl-1,3-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccccc2)C1
InChIInChI=1S/C9H11NO2S/c11-13(12)7-6-10(8-13)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyUPGKJBMAFHEWHZ-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,3-thiazolidine 1,1-dioxide?
The IUPAC name of 3-phenyl-1,3-thiazolidine 1,1-dioxide (CID 90274724) is 3-phenyl-1,3-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-phenyl-1,3-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-phenyl-1,3-thiazolidine 1,1-dioxide is O=S1(=O)CCN(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1,3-thiazolidine 1,1-dioxide?
The InChIKey is UPGKJBMAFHEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-13(12)7-6-10(8-13)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3-phenyl-1,3-thiazolidine 1,1-dioxide?
3-phenyl-1,3-thiazolidine 1,1-dioxide has a molecular weight of 197.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,3-thiazolidine 1,1-dioxide is sourced from PubChem (CID 90274724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).