2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide

C11H23NO2S — CID 138668034

IUPAC2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)C1CCN(C(C)(C)C)S1(=O)=O
InChIInChI=1S/C11H23NO2S/c1-10(2,3)9-7-8-12(11(4,5)6)15(9,13)14/h9H,7-8H2,1-6H3
InChIKeyPFZHHFFMSLSDFX-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.24
Rot. Bonds

About 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide

2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 138668034) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide
PubChem CID138668034
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)C1CCN(C(C)(C)C)S1(=O)=O
InChIInChI=1S/C11H23NO2S/c1-10(2,3)9-7-8-12(11(4,5)6)15(9,13)14/h9H,7-8H2,1-6H3
InChIKeyPFZHHFFMSLSDFX-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide (CID 138668034) is 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide is CC(C)(C)C1CCN(C(C)(C)C)S1(=O)=O.
What is the InChIKey of 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is PFZHHFFMSLSDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2,3)9-7-8-12(11(4,5)6)15(9,13)14/h9H,7-8H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide?
2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 233.38 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 138668034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).