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

C9H19NO2S — CID 155369936

IUPAC5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide
SMILESCCN1CCC(C(C)(C)C)S1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-10-7-6-8(9(2,3)4)13(10,11)12/h8H,5-7H2,1-4H3
InChIKeyHXDQZVXTLDWUFQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds1

About 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide

5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 155369936) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide
PubChem CID155369936
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide
SMILESCCN1CCC(C(C)(C)C)S1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-10-7-6-8(9(2,3)4)13(10,11)12/h8H,5-7H2,1-4H3
InChIKeyHXDQZVXTLDWUFQ-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide (CID 155369936) is 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide is CCN1CCC(C(C)(C)C)S1(=O)=O.
What is the InChIKey of 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is HXDQZVXTLDWUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-10-7-6-8(9(2,3)4)13(10,11)12/h8H,5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide?
5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 155369936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).