5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide

C11H23NO2S — CID 167062060

IUPAC5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CC1CNS(=O)(=O)C1C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-8(2)6-9-7-12-15(13,14)10(9)11(3,4)5/h8-10,12H,6-7H2,1-5H3
InChIKeyBSRKFSZCGQCXGX-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.00
Rot. Bonds2

About 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide

5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 167062060) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID167062060
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CC1CNS(=O)(=O)C1C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-8(2)6-9-7-12-15(13,14)10(9)11(3,4)5/h8-10,12H,6-7H2,1-5H3
InChIKeyBSRKFSZCGQCXGX-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide (CID 167062060) is 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide is CC(C)CC1CNS(=O)(=O)C1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is BSRKFSZCGQCXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-8(2)6-9-7-12-15(13,14)10(9)11(3,4)5/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 233.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 167062060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).