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

C8H17NO2S — CID 118424450

IUPAC3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1C(C(C)(C)C)CCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2,3)7-5-6-12(10,11)9(7)4/h7H,5-6H2,1-4H3
InChIKeyIONQDERTBVLCGH-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds

About 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide

3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 118424450) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID118424450
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1C(C(C)(C)C)CCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2,3)7-5-6-12(10,11)9(7)4/h7H,5-6H2,1-4H3
InChIKeyIONQDERTBVLCGH-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide (CID 118424450) is 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide is CN1C(C(C)(C)C)CCS1(=O)=O.
What is the InChIKey of 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IONQDERTBVLCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,3)7-5-6-12(10,11)9(7)4/h7H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide?
3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 118424450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).