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

C10H14N2O2S — CID 24688479

IUPAC[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H14N2O2S/c11-8-9-3-1-4-10(7-9)12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8,11H2
InChIKeyFSNIHYOXNQICHK-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.69
Rot. Bonds2

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

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine (PubChem CID 24688479) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine
PubChem CID24688479
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H14N2O2S/c11-8-9-3-1-4-10(7-9)12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8,11H2
InChIKeyFSNIHYOXNQICHK-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 [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine?
The IUPAC name of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine (CID 24688479) is [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine is NCc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine?
The InChIKey is FSNIHYOXNQICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-8-9-3-1-4-10(7-9)12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8,11H2.
What are the key properties of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine?
[3-(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 [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine is sourced from PubChem (CID 24688479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).