N'-acetyl-2-methylsulfonylacetohydrazide

C5H10N2O4S — CID 130740450

IUPACN'-acetyl-2-methylsulfonylacetohydrazide
SMILESCC(=O)NNC(=O)CS(C)(=O)=O
InChIInChI=1S/C5H10N2O4S/c1-4(8)6-7-5(9)3-12(2,10)11/h3H2,1-2H3,(H,6,8)(H,7,9)
InChIKeyHDOYVUJKDRLEJP-UHFFFAOYSA-N
MW194.21 g/mol
LogP-1.80
Rot. Bonds2

About N'-acetyl-2-methylsulfonylacetohydrazide

N'-acetyl-2-methylsulfonylacetohydrazide (PubChem CID 130740450) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is N'-acetyl-2-methylsulfonylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-methylsulfonylacetohydrazide
PubChem CID130740450
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC NameN'-acetyl-2-methylsulfonylacetohydrazide
SMILESCC(=O)NNC(=O)CS(C)(=O)=O
InChIInChI=1S/C5H10N2O4S/c1-4(8)6-7-5(9)3-12(2,10)11/h3H2,1-2H3,(H,6,8)(H,7,9)
InChIKeyHDOYVUJKDRLEJP-UHFFFAOYSA-N
XLogP-1.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-1.80
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'-acetyl-2-methylsulfonylacetohydrazide?
The IUPAC name of N'-acetyl-2-methylsulfonylacetohydrazide (CID 130740450) is N'-acetyl-2-methylsulfonylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-methylsulfonylacetohydrazide?
The canonical SMILES for N'-acetyl-2-methylsulfonylacetohydrazide is CC(=O)NNC(=O)CS(C)(=O)=O.
What is the InChIKey of N'-acetyl-2-methylsulfonylacetohydrazide?
The InChIKey is HDOYVUJKDRLEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c1-4(8)6-7-5(9)3-12(2,10)11/h3H2,1-2H3,(H,6,8)(H,7,9).
What are the key properties of N'-acetyl-2-methylsulfonylacetohydrazide?
N'-acetyl-2-methylsulfonylacetohydrazide has a molecular weight of 194.21 g/mol, XLogP of -1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-methylsulfonylacetohydrazide is sourced from PubChem (CID 130740450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).