2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium

C6H14N2O2S — CID 88554167

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium
SMILES[CH2-][NH2+]CCN1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-7-3-5-8-4-2-6-11(8,9)10/h1-7H2
InChIKeyPVWODVAJIFSHFR-UHFFFAOYSA-N
MW178.26 g/mol
LogP-1.62
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium

2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium (PubChem CID 88554167) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium
PubChem CID88554167
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium
SMILES[CH2-][NH2+]CCN1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-7-3-5-8-4-2-6-11(8,9)10/h1-7H2
InChIKeyPVWODVAJIFSHFR-UHFFFAOYSA-N
XLogP-1.62
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium (CID 88554167) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium is [CH2-][NH2+]CCN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium?
The InChIKey is PVWODVAJIFSHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-3-5-8-4-2-6-11(8,9)10/h1-7H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium has a molecular weight of 178.26 g/mol, XLogP of -1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methanidylazanium is sourced from PubChem (CID 88554167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).