3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine

C8H18N2O2S — CID 61348834

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCN1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-2-9-5-3-6-10-7-4-8-13(10,11)12/h9H,2-8H2,1H3
InChIKeyKQYFHUBLWVWJEQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine (PubChem CID 61348834) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine
PubChem CID61348834
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCN1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-2-9-5-3-6-10-7-4-8-13(10,11)12/h9H,2-8H2,1H3
InChIKeyKQYFHUBLWVWJEQ-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
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 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine (CID 61348834) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine is CCNCCCN1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine?
The InChIKey is KQYFHUBLWVWJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-2-9-5-3-6-10-7-4-8-13(10,11)12/h9H,2-8H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylpropan-1-amine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 5 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)-N-ethylpropan-1-amine is sourced from PubChem (CID 61348834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).