2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one

C12H15NO4S — CID 82134275

IUPAC2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccccc1OCCN1C(=O)CCS1(=O)=O
InChIInChI=1S/C12H15NO4S/c1-10-4-2-3-5-11(10)17-8-7-13-12(14)6-9-18(13,15)16/h2-5H,6-9H2,1H3
InChIKeyXBSMPHMQPLIJSZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.94
Rot. Bonds4

About 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82134275) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82134275
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccccc1OCCN1C(=O)CCS1(=O)=O
InChIInChI=1S/C12H15NO4S/c1-10-4-2-3-5-11(10)17-8-7-13-12(14)6-9-18(13,15)16/h2-5H,6-9H2,1H3
InChIKeyXBSMPHMQPLIJSZ-UHFFFAOYSA-N
XLogP0.94
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
2-[2-(2-methylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 60523237
2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 94697860
1-[3-(2-methylphenoxy)propyl]pyrrole-2,5-dione
CID 94688559
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one
CID 52891668
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
1-methyl-2-pentadecoxybenzene
CID 154641785
1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one
CID 39361353
3-[3-(2-methylphenoxy)propyl]-1,3-benzothiazol-2-one
CID 3157897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 82134275) is 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one is Cc1ccccc1OCCN1C(=O)CCS1(=O)=O.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is XBSMPHMQPLIJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-10-4-2-3-5-11(10)17-8-7-13-12(14)6-9-18(13,15)16/h2-5H,6-9H2,1H3.
What are the key properties of 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 269.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82134275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).