2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide

C7H16N2O2S — CID 54292767

IUPAC2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide
SMILESCCOC(S)CNC(=O)C(C)N
InChIInChI=1S/C7H16N2O2S/c1-3-11-6(12)4-9-7(10)5(2)8/h5-6,12H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyRYRAJTKZYYXFHW-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.26
Rot. Bonds5

About 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide

2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide (PubChem CID 54292767) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide
PubChem CID54292767
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide
SMILESCCOC(S)CNC(=O)C(C)N
InChIInChI=1S/C7H16N2O2S/c1-3-11-6(12)4-9-7(10)5(2)8/h5-6,12H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyRYRAJTKZYYXFHW-UHFFFAOYSA-N
XLogP-0.26
TPSA64.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide 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-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide?
The IUPAC name of 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide (CID 54292767) is 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide?
The canonical SMILES for 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide is CCOC(S)CNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide?
The InChIKey is RYRAJTKZYYXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-3-11-6(12)4-9-7(10)5(2)8/h5-6,12H,3-4,8H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide?
2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide has a molecular weight of 192.28 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide is sourced from PubChem (CID 54292767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).