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

C12H17NO3S — CID 82132117

IUPAC2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCOc1ccccc1CCN1CCCS1(=O)=O
InChIInChI=1S/C12H17NO3S/c1-16-12-6-3-2-5-11(12)7-9-13-8-4-10-17(13,14)15/h2-3,5-6H,4,7-10H2,1H3
InChIKeyOIOPBXKLXQYMDY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.27
Rot. Bonds4

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

2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 82132117) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID82132117
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCOc1ccccc1CCN1CCCS1(=O)=O
InChIInChI=1S/C12H17NO3S/c1-16-12-6-3-2-5-11(12)7-9-13-8-4-10-17(13,14)15/h2-3,5-6H,4,7-10H2,1H3
InChIKeyOIOPBXKLXQYMDY-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216389
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
CID 94698244
2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 94697958
2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide
CID 82134338
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 106260471
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide
CID 82134039

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide (CID 82132117) is 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide is COc1ccccc1CCN1CCCS1(=O)=O.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is OIOPBXKLXQYMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-12-6-3-2-5-11(12)7-9-13-8-4-10-17(13,14)15/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 255.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 82132117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).