2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

C11H16N2O2S — CID 117002992

IUPAC2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCc1cccc(C)c1N1CCNS1(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-3-10-6-4-5-9(2)11(10)13-8-7-12-16(13,14)15/h4-6,12H,3,7-8H2,1-2H3
InChIKeyUWWVCJGTJDBVHR-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.21
Rot. Bonds2

About 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117002992) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117002992
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCc1cccc(C)c1N1CCNS1(=O)=O
InChIInChI=1S/C11H16N2O2S/c1-3-10-6-4-5-9(2)11(10)13-8-7-12-16(13,14)15/h4-6,12H,3,7-8H2,1-2H3
InChIKeyUWWVCJGTJDBVHR-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 117002992) is 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is CCc1cccc(C)c1N1CCNS1(=O)=O.
What is the InChIKey of 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is UWWVCJGTJDBVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-10-6-4-5-9(2)11(10)13-8-7-12-16(13,14)15/h4-6,12H,3,7-8H2,1-2H3.
What are the key properties of 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 240.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117002992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).