2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide

C8H18N2O3S — CID 84555508

IUPAC2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESNCCSCC(=O)NCCOCCO
InChIInChI=1S/C8H18N2O3S/c9-1-6-14-7-8(12)10-2-4-13-5-3-11/h11H,1-7,9H2,(H,10,12)
InChIKeyZALHEKYUNWLSSE-UHFFFAOYSA-N
MW222.31 g/mol
LogP-1.20
Rot. Bonds9

About 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide

2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide (PubChem CID 84555508) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
PubChem CID84555508
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESNCCSCC(=O)NCCOCCO
InChIInChI=1S/C8H18N2O3S/c9-1-6-14-7-8(12)10-2-4-13-5-3-11/h11H,1-7,9H2,(H,10,12)
InChIKeyZALHEKYUNWLSSE-UHFFFAOYSA-N
XLogP-1.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]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-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide (CID 84555508) is 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide is NCCSCC(=O)NCCOCCO.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The InChIKey is ZALHEKYUNWLSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-1-6-14-7-8(12)10-2-4-13-5-3-11/h11H,1-7,9H2,(H,10,12).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide has a molecular weight of 222.31 g/mol, XLogP of -1.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide is sourced from PubChem (CID 84555508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).