(E)-(iminohydrazinylidene)sulfamic acid

H2N4O3S — CID 140590378

IUPAC(E)-(iminohydrazinylidene)sulfamic acid
SMILES[H]/N=N/N=N/S(=O)(=O)O
InChIInChI=1S/H2N4O3S/c1-2-3-4-8(5,6)7/h1H,(H,5,6,7)/b2-1+,4-3+
InChIKeyHCLGCEGRWKTBPZ-MVJNYCIBSA-N
MW138.11 g/mol
LogP0.19
Rot. Bonds2

About (E)-(iminohydrazinylidene)sulfamic acid

(E)-(iminohydrazinylidene)sulfamic acid (PubChem CID 140590378) has the molecular formula H2N4O3S and a molecular weight of 138.11 g/mol. Its IUPAC name is (E)-(iminohydrazinylidene)sulfamic acid.

Molecular Properties

Compound Name(E)-(iminohydrazinylidene)sulfamic acid
PubChem CID140590378
Molecular FormulaH2N4O3S
Molecular Weight138.11 g/mol
Exact Mass137.98
IUPAC Name(E)-(iminohydrazinylidene)sulfamic acid
SMILES[H]/N=N/N=N/S(=O)(=O)O
InChIInChI=1S/H2N4O3S/c1-2-3-4-8(5,6)7/h1H,(H,5,6,7)/b2-1+,4-3+
InChIKeyHCLGCEGRWKTBPZ-MVJNYCIBSA-N
XLogP0.19
TPSA115.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(E)-hydrazinylidenesulfamic acid
CID 18000562
[[Dihydroxy(oxo)-lambda6-sulfanylidene]amino]diazene
CID 21353061
CID 21897199
CID 21897199
Iminosulfamic acid
CID 22119597
Hydrazinylidenesulfamic acid
CID 73415305
CID 87468166
CID 87468166
Azidosulfamic acid
CID 148242502
(2-Diazohydrazinyl)sulfamic acid
CID 149979820
CID 150130934
CID 150130934
CID 152403038
CID 152403038
CID 154354443
CID 154354443
(2-Azidohydrazinyl)sulfamic acid
CID 154408446

Frequently Asked Questions

What is the IUPAC name of (E)-(iminohydrazinylidene)sulfamic acid?
The IUPAC name of (E)-(iminohydrazinylidene)sulfamic acid (CID 140590378) is (E)-(iminohydrazinylidene)sulfamic acid.
What is the SMILES notation for (E)-(iminohydrazinylidene)sulfamic acid?
The canonical SMILES for (E)-(iminohydrazinylidene)sulfamic acid is [H]/N=N/N=N/S(=O)(=O)O.
What is the InChIKey of (E)-(iminohydrazinylidene)sulfamic acid?
The InChIKey is HCLGCEGRWKTBPZ-MVJNYCIBSA-N. The full InChI is InChI=1S/H2N4O3S/c1-2-3-4-8(5,6)7/h1H,(H,5,6,7)/b2-1+,4-3+.
What are the key properties of (E)-(iminohydrazinylidene)sulfamic acid?
(E)-(iminohydrazinylidene)sulfamic acid has a molecular weight of 138.11 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(iminohydrazinylidene)sulfamic acid is sourced from PubChem (CID 140590378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).