2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide

C9H18N2O2S — CID 80584421

IUPAC2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide
SMILESNCCOCC(=O)NCC1CCCS1
InChIInChI=1S/C9H18N2O2S/c10-3-4-13-7-9(12)11-6-8-2-1-5-14-8/h8H,1-7,10H2,(H,11,12)
InChIKeyGGJHJBIDMWYYBU-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.03
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide

2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 80584421) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide
PubChem CID80584421
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide
SMILESNCCOCC(=O)NCC1CCCS1
InChIInChI=1S/C9H18N2O2S/c10-3-4-13-7-9(12)11-6-8-2-1-5-14-8/h8H,1-7,10H2,(H,11,12)
InChIKeyGGJHJBIDMWYYBU-UHFFFAOYSA-N
XLogP-0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide (CID 80584421) is 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide is NCCOCC(=O)NCC1CCCS1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is GGJHJBIDMWYYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-3-4-13-7-9(12)11-6-8-2-1-5-14-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide?
2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 218.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 80584421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).