3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine

C13H19NO2S2 — CID 1236385

IUPAC3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCSC2)cc1
InChIInChI=1S/C13H19NO2S2/c1-13(2,3)11-4-6-12(7-5-11)18(15,16)14-8-9-17-10-14/h4-7H,8-10H2,1-3H3
InChIKeyFLEGFEVJIZLSOK-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.68
Rot. Bonds2

About 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine

3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1236385) has the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1236385
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Exact Mass285.09
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCSC2)cc1
InChIInChI=1S/C13H19NO2S2/c1-13(2,3)11-4-6-12(7-5-11)18(15,16)14-8-9-17-10-14/h4-7H,8-10H2,1-3H3
InChIKeyFLEGFEVJIZLSOK-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine (CID 1236385) is 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCSC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is FLEGFEVJIZLSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S2/c1-13(2,3)11-4-6-12(7-5-11)18(15,16)14-8-9-17-10-14/h4-7H,8-10H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine?
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 285.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1236385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).