[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine

C10H14N2O2S — CID 24689158

IUPAC[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S/c11-8-9-2-4-10(5-3-9)12-6-1-7-15(12,13)14/h2-5H,1,6-8,11H2
InChIKeyDEGLQAJTIAVTNY-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.69
Rot. Bonds2

About [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine (PubChem CID 24689158) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine
PubChem CID24689158
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S/c11-8-9-2-4-10(5-3-9)12-6-1-7-15(12,13)14/h2-5H,1,6-8,11H2
InChIKeyDEGLQAJTIAVTNY-UHFFFAOYSA-N
XLogP0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine?
The IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine (CID 24689158) is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine is NCc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine?
The InChIKey is DEGLQAJTIAVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-8-9-2-4-10(5-3-9)12-6-1-7-15(12,13)14/h2-5H,1,6-8,11H2.
What are the key properties of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine?
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine has a molecular weight of 226.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine is sourced from PubChem (CID 24689158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).