2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide

C5H12N4O6S2 — CID 2817722

IUPAC2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)CS(=O)(=O)CC(=O)NN
InChIInChI=1S/C5H12N4O6S2/c6-8-4(10)1-16(12,13)3-17(14,15)2-5(11)9-7/h1-3,6-7H2,(H,8,10)(H,9,11)
InChIKeyNNTQITJYLYFJRV-UHFFFAOYSA-N
MW288.31 g/mol
LogP-4.25
Rot. Bonds6

About 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide

2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide (PubChem CID 2817722) has the molecular formula C5H12N4O6S2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide
PubChem CID2817722
Molecular FormulaC5H12N4O6S2
Molecular Weight288.31 g/mol
Exact Mass288.02
IUPAC Name2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)CS(=O)(=O)CC(=O)NN
InChIInChI=1S/C5H12N4O6S2/c6-8-4(10)1-16(12,13)3-17(14,15)2-5(11)9-7/h1-3,6-7H2,(H,8,10)(H,9,11)
InChIKeyNNTQITJYLYFJRV-UHFFFAOYSA-N
XLogP-4.25
TPSA178.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-4.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide?
The IUPAC name of 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide (CID 2817722) is 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide.
What is the SMILES notation for 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide?
The canonical SMILES for 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide is NNC(=O)CS(=O)(=O)CS(=O)(=O)CC(=O)NN.
What is the InChIKey of 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide?
The InChIKey is NNTQITJYLYFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O6S2/c6-8-4(10)1-16(12,13)3-17(14,15)2-5(11)9-7/h1-3,6-7H2,(H,8,10)(H,9,11).
What are the key properties of 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide?
2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide has a molecular weight of 288.31 g/mol, XLogP of -4.25, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-2-oxoethyl)sulfonylmethylsulfonyl]acetohydrazide is sourced from PubChem (CID 2817722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).