2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine

C7H16N2O2S — CID 61387839

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine
SMILESCCNCCN1CCCS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-2-8-4-6-9-5-3-7-12(9,10)11/h8H,2-7H2,1H3
InChIKeyJATGXVILAUUEKK-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds4

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine (PubChem CID 61387839) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine
PubChem CID61387839
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine
SMILESCCNCCN1CCCS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-2-8-4-6-9-5-3-7-12(9,10)11/h8H,2-7H2,1H3
InChIKeyJATGXVILAUUEKK-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-N-ethylethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine (CID 61387839) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine is CCNCCN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine?
The InChIKey is JATGXVILAUUEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-8-4-6-9-5-3-7-12(9,10)11/h8H,2-7H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine has a molecular weight of 192.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 61387839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).