2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide

C8H17NO2S — CID 58394948

IUPAC2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)CN1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2,3)7-9-5-4-6-12(9,10)11/h4-7H2,1-3H3
InChIKeyBQKYQYOTHCVFBS-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide

2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 58394948) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID58394948
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)CN1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2,3)7-9-5-4-6-12(9,10)11/h4-7H2,1-3H3
InChIKeyBQKYQYOTHCVFBS-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide (CID 58394948) is 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide is CC(C)(C)CN1CCCS1(=O)=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is BQKYQYOTHCVFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,3)7-9-5-4-6-12(9,10)11/h4-7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide?
2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58394948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).