2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide

C4H9N3O2S — CID 21196855

IUPAC2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide
SMILESNNC(=O)CSCC(N)=O
InChIInChI=1S/C4H9N3O2S/c5-3(8)1-10-2-4(9)7-6/h1-2,6H2,(H2,5,8)(H,7,9)
InChIKeySQBMRVMXYIQDAB-UHFFFAOYSA-N
MW163.20 g/mol
LogP-1.81
Rot. Bonds4

About 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide

2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide (PubChem CID 21196855) has the molecular formula C4H9N3O2S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide
PubChem CID21196855
Molecular FormulaC4H9N3O2S
Molecular Weight163.20 g/mol
Exact Mass163.04
IUPAC Name2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide
SMILESNNC(=O)CSCC(N)=O
InChIInChI=1S/C4H9N3O2S/c5-3(8)1-10-2-4(9)7-6/h1-2,6H2,(H2,5,8)(H,7,9)
InChIKeySQBMRVMXYIQDAB-UHFFFAOYSA-N
XLogP-1.81
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide 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-hydrazinyl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide (CID 21196855) is 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide is NNC(=O)CSCC(N)=O.
What is the InChIKey of 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide?
The InChIKey is SQBMRVMXYIQDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2S/c5-3(8)1-10-2-4(9)7-6/h1-2,6H2,(H2,5,8)(H,7,9).
What are the key properties of 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide?
2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide has a molecular weight of 163.20 g/mol, XLogP of -1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinyl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 21196855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).