2-(2-methylsulfonylethylsulfanyl)propanehydrazide

C6H14N2O3S2 — CID 63658912

IUPAC2-(2-methylsulfonylethylsulfanyl)propanehydrazide
SMILESCC(SCCS(C)(=O)=O)C(=O)NN
InChIInChI=1S/C6H14N2O3S2/c1-5(6(9)8-7)12-3-4-13(2,10)11/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyAJRJKOUFQARREK-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.86
Rot. Bonds5

About 2-(2-methylsulfonylethylsulfanyl)propanehydrazide

2-(2-methylsulfonylethylsulfanyl)propanehydrazide (PubChem CID 63658912) has the molecular formula C6H14N2O3S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)propanehydrazide
PubChem CID63658912
Molecular FormulaC6H14N2O3S2
Molecular Weight226.32 g/mol
Exact Mass226.04
IUPAC Name2-(2-methylsulfonylethylsulfanyl)propanehydrazide
SMILESCC(SCCS(C)(=O)=O)C(=O)NN
InChIInChI=1S/C6H14N2O3S2/c1-5(6(9)8-7)12-3-4-13(2,10)11/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyAJRJKOUFQARREK-UHFFFAOYSA-N
XLogP-0.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)propanehydrazide?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)propanehydrazide (CID 63658912) is 2-(2-methylsulfonylethylsulfanyl)propanehydrazide.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)propanehydrazide?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)propanehydrazide is CC(SCCS(C)(=O)=O)C(=O)NN.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)propanehydrazide?
The InChIKey is AJRJKOUFQARREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S2/c1-5(6(9)8-7)12-3-4-13(2,10)11/h5H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)propanehydrazide?
2-(2-methylsulfonylethylsulfanyl)propanehydrazide has a molecular weight of 226.32 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)propanehydrazide is sourced from PubChem (CID 63658912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).