2-tert-butylsulfonylacetohydrazide

C6H14N2O3S — CID 130720499

IUPAC2-tert-butylsulfonylacetohydrazide
SMILESCC(C)(C)S(=O)(=O)CC(=O)NN
InChIInChI=1S/C6H14N2O3S/c1-6(2,3)12(10,11)4-5(9)8-7/h4,7H2,1-3H3,(H,8,9)
InChIKeyKHBZUCGXBUBVDI-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.81
Rot. Bonds2

About 2-tert-butylsulfonylacetohydrazide

2-tert-butylsulfonylacetohydrazide (PubChem CID 130720499) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-tert-butylsulfonylacetohydrazide.

Molecular Properties

Compound Name2-tert-butylsulfonylacetohydrazide
PubChem CID130720499
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name2-tert-butylsulfonylacetohydrazide
SMILESCC(C)(C)S(=O)(=O)CC(=O)NN
InChIInChI=1S/C6H14N2O3S/c1-6(2,3)12(10,11)4-5(9)8-7/h4,7H2,1-3H3,(H,8,9)
InChIKeyKHBZUCGXBUBVDI-UHFFFAOYSA-N
XLogP-0.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylacetohydrazide?
The IUPAC name of 2-tert-butylsulfonylacetohydrazide (CID 130720499) is 2-tert-butylsulfonylacetohydrazide.
What is the SMILES notation for 2-tert-butylsulfonylacetohydrazide?
The canonical SMILES for 2-tert-butylsulfonylacetohydrazide is CC(C)(C)S(=O)(=O)CC(=O)NN.
What is the InChIKey of 2-tert-butylsulfonylacetohydrazide?
The InChIKey is KHBZUCGXBUBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-6(2,3)12(10,11)4-5(9)8-7/h4,7H2,1-3H3,(H,8,9).
What are the key properties of 2-tert-butylsulfonylacetohydrazide?
2-tert-butylsulfonylacetohydrazide has a molecular weight of 194.26 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylacetohydrazide is sourced from PubChem (CID 130720499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).