1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol

C11H15NO3S — CID 104549320

IUPAC1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1N1CCCS1(=O)=O
InChIInChI=1S/C11H15NO3S/c1-9(13)10-5-2-3-6-11(10)12-7-4-8-16(12,14)15/h2-3,5-6,9,13H,4,7-8H2,1H3
InChIKeyPAQVTCKRRCOXHF-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.28
Rot. Bonds2

About 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol (PubChem CID 104549320) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol
PubChem CID104549320
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1N1CCCS1(=O)=O
InChIInChI=1S/C11H15NO3S/c1-9(13)10-5-2-3-6-11(10)12-7-4-8-16(12,14)15/h2-3,5-6,9,13H,4,7-8H2,1H3
InChIKeyPAQVTCKRRCOXHF-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol (CID 104549320) is 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol is CC(O)c1ccccc1N1CCCS1(=O)=O.
What is the InChIKey of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol?
The InChIKey is PAQVTCKRRCOXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9(13)10-5-2-3-6-11(10)12-7-4-8-16(12,14)15/h2-3,5-6,9,13H,4,7-8H2,1H3.
What are the key properties of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol?
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol has a molecular weight of 241.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol is sourced from PubChem (CID 104549320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).