2-tert-butyl-1,2-thiazolidine 1,1-dioxide

C7H15NO2S — CID 21132146

IUPAC2-tert-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7(2,3)8-5-4-6-11(8,9)10/h4-6H2,1-3H3
InChIKeyCOUNGRLYRIRQRC-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds

About 2-tert-butyl-1,2-thiazolidine 1,1-dioxide

2-tert-butyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 21132146) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-tert-butyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-tert-butyl-1,2-thiazolidine 1,1-dioxide
PubChem CID21132146
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-tert-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7(2,3)8-5-4-6-11(8,9)10/h4-6H2,1-3H3
InChIKeyCOUNGRLYRIRQRC-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-tert-butyl-1,2-thiazolidine 1,1-dioxide (CID 21132146) is 2-tert-butyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-tert-butyl-1,2-thiazolidine 1,1-dioxide is CC(C)(C)N1CCCS1(=O)=O.
What is the InChIKey of 2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is COUNGRLYRIRQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2,3)8-5-4-6-11(8,9)10/h4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
2-tert-butyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 177.27 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 21132146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).