2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine

C7H12F3NO2S2 — CID 122331868

IUPAC2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine
SMILESCC1SCCN1S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO2S2/c1-6-11(3-4-14-6)15(12,13)5-2-7(8,9)10/h6H,2-5H2,1H3
InChIKeyKEHLYNVHLVOTAH-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.66
Rot. Bonds3

About 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine

2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine (PubChem CID 122331868) has the molecular formula C7H12F3NO2S2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine
PubChem CID122331868
Molecular FormulaC7H12F3NO2S2
Molecular Weight263.31 g/mol
Exact Mass263.03
IUPAC Name2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine
SMILESCC1SCCN1S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO2S2/c1-6-11(3-4-14-6)15(12,13)5-2-7(8,9)10/h6H,2-5H2,1H3
InChIKeyKEHLYNVHLVOTAH-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine?
The IUPAC name of 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine (CID 122331868) is 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine?
The canonical SMILES for 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine is CC1SCCN1S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine?
The InChIKey is KEHLYNVHLVOTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S2/c1-6-11(3-4-14-6)15(12,13)5-2-7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine?
2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine has a molecular weight of 263.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine is sourced from PubChem (CID 122331868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).