2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide

C5H12NO2S+ — CID 15577565

IUPAC2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide
SMILESC[N+]1(C)CCCS1(=O)=O
InChIInChI=1S/C5H12NO2S/c1-6(2)4-3-5-9(6,7)8/h3-5H2,1-2H3/q+1
InChIKeySZVIFBXOLZSKNF-UHFFFAOYSA-N
MW150.22 g/mol
LogP-0.20
Rot. Bonds

About 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide

2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide (PubChem CID 15577565) has the molecular formula C5H12NO2S+ and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide
PubChem CID15577565
Molecular FormulaC5H12NO2S+
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide
SMILESC[N+]1(C)CCCS1(=O)=O
InChIInChI=1S/C5H12NO2S/c1-6(2)4-3-5-9(6,7)8/h3-5H2,1-2H3/q+1
InChIKeySZVIFBXOLZSKNF-UHFFFAOYSA-N
XLogP-0.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide?
The IUPAC name of 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide (CID 15577565) is 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide.
What is the SMILES notation for 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide?
The canonical SMILES for 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide is C[N+]1(C)CCCS1(=O)=O.
What is the InChIKey of 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide?
The InChIKey is SZVIFBXOLZSKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2S/c1-6(2)4-3-5-9(6,7)8/h3-5H2,1-2H3/q+1.
What are the key properties of 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide?
2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide has a molecular weight of 150.22 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,2-thiazolidin-2-ium 1,1-dioxide is sourced from PubChem (CID 15577565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).