2-(cyanomethylsulfonyl)acetohydrazide

C4H7N3O3S — CID 82531582

IUPAC2-(cyanomethylsulfonyl)acetohydrazide
SMILESN#CCS(=O)(=O)CC(=O)NN
InChIInChI=1S/C4H7N3O3S/c5-1-2-11(9,10)3-4(8)7-6/h2-3,6H2,(H,7,8)
InChIKeyDZBOAHJVENVDHL-UHFFFAOYSA-N
MW177.18 g/mol
LogP-2.09
Rot. Bonds3

About 2-(cyanomethylsulfonyl)acetohydrazide

2-(cyanomethylsulfonyl)acetohydrazide (PubChem CID 82531582) has the molecular formula C4H7N3O3S and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-(cyanomethylsulfonyl)acetohydrazide.

Molecular Properties

Compound Name2-(cyanomethylsulfonyl)acetohydrazide
PubChem CID82531582
Molecular FormulaC4H7N3O3S
Molecular Weight177.18 g/mol
Exact Mass177.02
IUPAC Name2-(cyanomethylsulfonyl)acetohydrazide
SMILESN#CCS(=O)(=O)CC(=O)NN
InChIInChI=1S/C4H7N3O3S/c5-1-2-11(9,10)3-4(8)7-6/h2-3,6H2,(H,7,8)
InChIKeyDZBOAHJVENVDHL-UHFFFAOYSA-N
XLogP-2.09
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 5-2.09
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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Related Compounds

Bis(hydrazinocarbonylmethyl) sulfoxide
CID 129769119
2-Ethylsulfonylacetohydrazide
CID 130710740
2-Methanesulfonylacetohydrazide
CID 20397392
2-Propylsulfonylacetohydrazide
CID 23162551
3-Ethylsulfonylpropanehydrazide
CID 23162557
N'-acetyl-2-methylsulfonylacetohydrazide
CID 130740450
N'-methyl-2-propan-2-ylsulfonylacetohydrazide
CID 137433329
2-(Cyanomethylsulfanyl)acetohydrazide
CID 43348499
2-(2-Methylsulfonylethylsulfanyl)propanehydrazide
CID 63658912
2-(2-Methylsulfonylethylsulfanyl)acetohydrazide
CID 63658913
2-Prop-2-ynylsulfonylacetohydrazide
CID 82368921
N'-acetyl-2-(cyanomethylsulfonyl)acetohydrazide
CID 82531581

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfonyl)acetohydrazide?
The IUPAC name of 2-(cyanomethylsulfonyl)acetohydrazide (CID 82531582) is 2-(cyanomethylsulfonyl)acetohydrazide.
What is the SMILES notation for 2-(cyanomethylsulfonyl)acetohydrazide?
The canonical SMILES for 2-(cyanomethylsulfonyl)acetohydrazide is N#CCS(=O)(=O)CC(=O)NN.
What is the InChIKey of 2-(cyanomethylsulfonyl)acetohydrazide?
The InChIKey is DZBOAHJVENVDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O3S/c5-1-2-11(9,10)3-4(8)7-6/h2-3,6H2,(H,7,8).
What are the key properties of 2-(cyanomethylsulfonyl)acetohydrazide?
2-(cyanomethylsulfonyl)acetohydrazide has a molecular weight of 177.18 g/mol, XLogP of -2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfonyl)acetohydrazide is sourced from PubChem (CID 82531582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).