2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide

C13H19NO3S — CID 75532067

IUPAC2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCCc1ccc(OCCN2CCCS2(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-2-12-4-6-13(7-5-12)17-10-9-14-8-3-11-18(14,15)16/h4-7H,2-3,8-11H2,1H3
InChIKeyPLTRIWZAOJGAAF-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.66
Rot. Bonds5

About 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide

2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 75532067) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID75532067
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCCc1ccc(OCCN2CCCS2(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-2-12-4-6-13(7-5-12)17-10-9-14-8-3-11-18(14,15)16/h4-7H,2-3,8-11H2,1H3
InChIKeyPLTRIWZAOJGAAF-UHFFFAOYSA-N
XLogP1.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134347
2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 97127127
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 60523237
2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide
CID 60522986
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propoxy]aniline
CID 43619907
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120740438
7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 59868943
(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 134030266
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
CID 17368121
1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2888407

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide (CID 75532067) is 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide is CCc1ccc(OCCN2CCCS2(=O)=O)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is PLTRIWZAOJGAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-12-4-6-13(7-5-12)17-10-9-14-8-3-11-18(14,15)16/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 75532067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).