N'-methyl-2-propan-2-ylsulfonylacetohydrazide

C6H14N2O3S — CID 137433329

IUPACN'-methyl-2-propan-2-ylsulfonylacetohydrazide
SMILESCNNC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C6H14N2O3S/c1-5(2)12(10,11)4-6(9)8-7-3/h5,7H,4H2,1-3H3,(H,8,9)
InChIKeyMAMWXZGYCIIKEY-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.94
Rot. Bonds4

About N'-methyl-2-propan-2-ylsulfonylacetohydrazide

N'-methyl-2-propan-2-ylsulfonylacetohydrazide (PubChem CID 137433329) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is N'-methyl-2-propan-2-ylsulfonylacetohydrazide.

Molecular Properties

Compound NameN'-methyl-2-propan-2-ylsulfonylacetohydrazide
PubChem CID137433329
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC NameN'-methyl-2-propan-2-ylsulfonylacetohydrazide
SMILESCNNC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C6H14N2O3S/c1-5(2)12(10,11)4-6(9)8-7-3/h5,7H,4H2,1-3H3,(H,8,9)
InChIKeyMAMWXZGYCIIKEY-UHFFFAOYSA-N
XLogP-0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-propan-2-ylsulfonylacetohydrazide?
The IUPAC name of N'-methyl-2-propan-2-ylsulfonylacetohydrazide (CID 137433329) is N'-methyl-2-propan-2-ylsulfonylacetohydrazide.
What is the SMILES notation for N'-methyl-2-propan-2-ylsulfonylacetohydrazide?
The canonical SMILES for N'-methyl-2-propan-2-ylsulfonylacetohydrazide is CNNC(=O)CS(=O)(=O)C(C)C.
What is the InChIKey of N'-methyl-2-propan-2-ylsulfonylacetohydrazide?
The InChIKey is MAMWXZGYCIIKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-5(2)12(10,11)4-6(9)8-7-3/h5,7H,4H2,1-3H3,(H,8,9).
What are the key properties of N'-methyl-2-propan-2-ylsulfonylacetohydrazide?
N'-methyl-2-propan-2-ylsulfonylacetohydrazide has a molecular weight of 194.26 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-propan-2-ylsulfonylacetohydrazide is sourced from PubChem (CID 137433329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).