2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide

C13H19NO3S — CID 82134347

IUPAC2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1cc(C)cc(OCCN2CCCS2(=O)=O)c1
InChIInChI=1S/C13H19NO3S/c1-11-8-12(2)10-13(9-11)17-6-5-14-4-3-7-18(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyHHBJTDCMTQKCEL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.72
Rot. Bonds4

About 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide

2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 82134347) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID82134347
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1cc(C)cc(OCCN2CCCS2(=O)=O)c1
InChIInChI=1S/C13H19NO3S/c1-11-8-12(2)10-13(9-11)17-6-5-14-4-3-7-18(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyHHBJTDCMTQKCEL-UHFFFAOYSA-N
XLogP1.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide (CID 82134347) is 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide is Cc1cc(C)cc(OCCN2CCCS2(=O)=O)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is HHBJTDCMTQKCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-8-12(2)10-13(9-11)17-6-5-14-4-3-7-18(14,15)16/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 82134347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).