3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide

C7H14N2O3S — CID 16741219

IUPAC3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide
SMILESO=C(CO)NCCC(=O)NCCS
InChIInChI=1S/C7H14N2O3S/c10-5-7(12)8-2-1-6(11)9-3-4-13/h10,13H,1-5H2,(H,8,12)(H,9,11)
InChIKeyHVZYNFQGZQZIAS-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.47
Rot. Bonds6

About 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide

3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide (PubChem CID 16741219) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide
PubChem CID16741219
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide
SMILESO=C(CO)NCCC(=O)NCCS
InChIInChI=1S/C7H14N2O3S/c10-5-7(12)8-2-1-6(11)9-3-4-13/h10,13H,1-5H2,(H,8,12)(H,9,11)
InChIKeyHVZYNFQGZQZIAS-UHFFFAOYSA-N
XLogP-1.47
TPSA78.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2-hydroxyacetyl)amino]-N-(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 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide (CID 16741219) is 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide is O=C(CO)NCCC(=O)NCCS.
What is the InChIKey of 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide?
The InChIKey is HVZYNFQGZQZIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c10-5-7(12)8-2-1-6(11)9-3-4-13/h10,13H,1-5H2,(H,8,12)(H,9,11).
What are the key properties of 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide?
3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide has a molecular weight of 206.27 g/mol, XLogP of -1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 16741219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).