propane-2-sulfonohydrazide

C3H10N2O2S — CID 5078112

IUPACpropane-2-sulfonohydrazide
SMILESCC(C)S(=O)(=O)NN
InChIInChI=1S/C3H10N2O2S/c1-3(2)8(6,7)5-4/h3,5H,4H2,1-2H3
InChIKeyYSWKNOTVKJDDGM-UHFFFAOYSA-N
MW138.19 g/mol
LogP-0.81
Rot. Bonds2

About propane-2-sulfonohydrazide

propane-2-sulfonohydrazide (PubChem CID 5078112) has the molecular formula C3H10N2O2S and a molecular weight of 138.19 g/mol. Its IUPAC name is propane-2-sulfonohydrazide.

Molecular Properties

Compound Namepropane-2-sulfonohydrazide
PubChem CID5078112
Molecular FormulaC3H10N2O2S
Molecular Weight138.19 g/mol
Exact Mass138.05
IUPAC Namepropane-2-sulfonohydrazide
SMILESCC(C)S(=O)(=O)NN
InChIInChI=1S/C3H10N2O2S/c1-3(2)8(6,7)5-4/h3,5H,4H2,1-2H3
InChIKeyYSWKNOTVKJDDGM-UHFFFAOYSA-N
XLogP-0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 propane-2-sulfonohydrazide?
The IUPAC name of propane-2-sulfonohydrazide (CID 5078112) is propane-2-sulfonohydrazide.
What is the SMILES notation for propane-2-sulfonohydrazide?
The canonical SMILES for propane-2-sulfonohydrazide is CC(C)S(=O)(=O)NN.
What is the InChIKey of propane-2-sulfonohydrazide?
The InChIKey is YSWKNOTVKJDDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S/c1-3(2)8(6,7)5-4/h3,5H,4H2,1-2H3.
What are the key properties of propane-2-sulfonohydrazide?
propane-2-sulfonohydrazide has a molecular weight of 138.19 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-2-sulfonohydrazide is sourced from PubChem (CID 5078112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).