N'-(2-methylsulfonylacetyl)propanehydrazide

C6H12N2O4S — CID 167239436

IUPACN'-(2-methylsulfonylacetyl)propanehydrazide
SMILESCCC(=O)NNC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H12N2O4S/c1-3-5(9)7-8-6(10)4-13(2,11)12/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyCJJKTHGPHHXAQC-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.41
Rot. Bonds3

About N'-(2-methylsulfonylacetyl)propanehydrazide

N'-(2-methylsulfonylacetyl)propanehydrazide (PubChem CID 167239436) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is N'-(2-methylsulfonylacetyl)propanehydrazide.

Molecular Properties

Compound NameN'-(2-methylsulfonylacetyl)propanehydrazide
PubChem CID167239436
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC NameN'-(2-methylsulfonylacetyl)propanehydrazide
SMILESCCC(=O)NNC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H12N2O4S/c1-3-5(9)7-8-6(10)4-13(2,11)12/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyCJJKTHGPHHXAQC-UHFFFAOYSA-N
XLogP-1.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-methylsulfonylacetyl)propanehydrazide 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 N'-(2-methylsulfonylacetyl)propanehydrazide?
The IUPAC name of N'-(2-methylsulfonylacetyl)propanehydrazide (CID 167239436) is N'-(2-methylsulfonylacetyl)propanehydrazide.
What is the SMILES notation for N'-(2-methylsulfonylacetyl)propanehydrazide?
The canonical SMILES for N'-(2-methylsulfonylacetyl)propanehydrazide is CCC(=O)NNC(=O)CS(C)(=O)=O.
What is the InChIKey of N'-(2-methylsulfonylacetyl)propanehydrazide?
The InChIKey is CJJKTHGPHHXAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-3-5(9)7-8-6(10)4-13(2,11)12/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N'-(2-methylsulfonylacetyl)propanehydrazide?
N'-(2-methylsulfonylacetyl)propanehydrazide has a molecular weight of 208.24 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfonylacetyl)propanehydrazide is sourced from PubChem (CID 167239436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).