2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide

C9H20N2O3S — CID 145157687

IUPAC2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide
SMILESCC(S)CNC(=O)COCCOCCN
InChIInChI=1S/C9H20N2O3S/c1-8(15)6-11-9(12)7-14-5-4-13-3-2-10/h8,15H,2-7,10H2,1H3,(H,11,12)
InChIKeyBJAGTIGZFIIUJC-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.59
Rot. Bonds9

About 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide

2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide (PubChem CID 145157687) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide
PubChem CID145157687
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide
SMILESCC(S)CNC(=O)COCCOCCN
InChIInChI=1S/C9H20N2O3S/c1-8(15)6-11-9(12)7-14-5-4-13-3-2-10/h8,15H,2-7,10H2,1H3,(H,11,12)
InChIKeyBJAGTIGZFIIUJC-UHFFFAOYSA-N
XLogP-0.59
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide (CID 145157687) is 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide is CC(S)CNC(=O)COCCOCCN.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide?
The InChIKey is BJAGTIGZFIIUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(15)6-11-9(12)7-14-5-4-13-3-2-10/h8,15H,2-7,10H2,1H3,(H,11,12).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide?
2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide has a molecular weight of 236.34 g/mol, XLogP of -0.59, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]-N-(2-sulfanylpropyl)acetamide is sourced from PubChem (CID 145157687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).