2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

C6H13NO2S — CID 10749528

IUPAC2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)N1CCCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2)7-4-3-5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyXVRXCPBNKJSGGJ-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.43
Rot. Bonds1

About 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 10749528) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID10749528
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)N1CCCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2)7-4-3-5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyXVRXCPBNKJSGGJ-UHFFFAOYSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-1,2-thiazolidine 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-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 10749528) is 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is CC(C)N1CCCS1(=O)=O.
What is the InChIKey of 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is XVRXCPBNKJSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2)7-4-3-5-10(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
2-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 10749528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).