3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide

C5H8F3NO2S — CID 162597238

IUPAC3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide
SMILESCN1CS(=O)(=O)CC1C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-9-3-12(10,11)2-4(9)5(6,7)8/h4H,2-3H2,1H3
InChIKeyVLLUWAFHAYPCSQ-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.23
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide

3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide (PubChem CID 162597238) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide
PubChem CID162597238
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide
SMILESCN1CS(=O)(=O)CC1C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-9-3-12(10,11)2-4(9)5(6,7)8/h4H,2-3H2,1H3
InChIKeyVLLUWAFHAYPCSQ-UHFFFAOYSA-N
XLogP0.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide (CID 162597238) is 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide is CN1CS(=O)(=O)CC1C(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide?
The InChIKey is VLLUWAFHAYPCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-9-3-12(10,11)2-4(9)5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide?
3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide has a molecular weight of 203.18 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide is sourced from PubChem (CID 162597238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).