3-tert-butyl-1,3-thiazolidine 1-oxide

C7H15NOS — CID 59127286

IUPAC3-tert-butyl-1,3-thiazolidine 1-oxide
SMILESCC(C)(C)N1CCS(=O)C1
InChIInChI=1S/C7H15NOS/c1-7(2,3)8-4-5-10(9)6-8/h4-6H2,1-3H3
InChIKeyWOBHOHZVPYXVQX-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.81
Rot. Bonds

About 3-tert-butyl-1,3-thiazolidine 1-oxide

3-tert-butyl-1,3-thiazolidine 1-oxide (PubChem CID 59127286) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-tert-butyl-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name3-tert-butyl-1,3-thiazolidine 1-oxide
PubChem CID59127286
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-tert-butyl-1,3-thiazolidine 1-oxide
SMILESCC(C)(C)N1CCS(=O)C1
InChIInChI=1S/C7H15NOS/c1-7(2,3)8-4-5-10(9)6-8/h4-6H2,1-3H3
InChIKeyWOBHOHZVPYXVQX-UHFFFAOYSA-N
XLogP0.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,3-thiazolidine 1-oxide?
The IUPAC name of 3-tert-butyl-1,3-thiazolidine 1-oxide (CID 59127286) is 3-tert-butyl-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 3-tert-butyl-1,3-thiazolidine 1-oxide?
The canonical SMILES for 3-tert-butyl-1,3-thiazolidine 1-oxide is CC(C)(C)N1CCS(=O)C1.
What is the InChIKey of 3-tert-butyl-1,3-thiazolidine 1-oxide?
The InChIKey is WOBHOHZVPYXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,3)8-4-5-10(9)6-8/h4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-1,3-thiazolidine 1-oxide?
3-tert-butyl-1,3-thiazolidine 1-oxide has a molecular weight of 161.27 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 59127286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).