1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine

C11H16N2O2S — CID 24688834

IUPAC1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
SMILESCC(N)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C11H16N2O2S/c1-9(12)10-4-2-5-11(8-10)13-6-3-7-16(13,14)15/h2,4-5,8-9H,3,6-7,12H2,1H3
InChIKeyVOLCEGNUCYAADY-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.25
Rot. Bonds2

About 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine

1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine (PubChem CID 24688834) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
PubChem CID24688834
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
SMILESCC(N)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C11H16N2O2S/c1-9(12)10-4-2-5-11(8-10)13-6-3-7-16(13,14)15/h2,4-5,8-9H,3,6-7,12H2,1H3
InChIKeyVOLCEGNUCYAADY-UHFFFAOYSA-N
XLogP1.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine (CID 24688834) is 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine is CC(N)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The InChIKey is VOLCEGNUCYAADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9(12)10-4-2-5-11(8-10)13-6-3-7-16(13,14)15/h2,4-5,8-9H,3,6-7,12H2,1H3.
What are the key properties of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine has a molecular weight of 240.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 24688834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).