2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide

C12H17NO3S — CID 60523237

IUPAC2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccccc1OCCN1CCCS1(=O)=O
InChIInChI=1S/C12H17NO3S/c1-11-5-2-3-6-12(11)16-9-8-13-7-4-10-17(13,14)15/h2-3,5-6H,4,7-10H2,1H3
InChIKeyMHPOSGBRODWEAN-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.41
Rot. Bonds4

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

2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 60523237) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID60523237
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccccc1OCCN1CCCS1(=O)=O
InChIInChI=1S/C12H17NO3S/c1-11-5-2-3-6-12(11)16-9-8-13-7-4-10-17(13,14)15/h2-3,5-6H,4,7-10H2,1H3
InChIKeyMHPOSGBRODWEAN-UHFFFAOYSA-N
XLogP1.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 82134275
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide
CID 60522986
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 97127127
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
CID 62654078
2-[(2-ethoxyphenyl)methyl]thiazinane 1,1-dioxide
CID 82134330
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide (CID 60523237) is 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide is Cc1ccccc1OCCN1CCCS1(=O)=O.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MHPOSGBRODWEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-11-5-2-3-6-12(11)16-9-8-13-7-4-10-17(13,14)15/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 255.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 60523237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).