2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

C11H16N2O2S — CID 117026551

IUPAC2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCc1ccc(N2CCN(C)S2(=O)=O)cc1C
InChIInChI=1S/C11H16N2O2S/c1-9-4-5-11(8-10(9)2)13-7-6-12(3)16(13,14)15/h4-5,8H,6-7H2,1-3H3
InChIKeyKDZPXJJABUIDLF-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.30
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117026551) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117026551
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCc1ccc(N2CCN(C)S2(=O)=O)cc1C
InChIInChI=1S/C11H16N2O2S/c1-9-4-5-11(8-10(9)2)13-7-6-12(3)16(13,14)15/h4-5,8H,6-7H2,1-3H3
InChIKeyKDZPXJJABUIDLF-UHFFFAOYSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 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-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 117026551) is 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is Cc1ccc(N2CCN(C)S2(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is KDZPXJJABUIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-4-5-11(8-10(9)2)13-7-6-12(3)16(13,14)15/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 240.33 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117026551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).