2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid

C3H10N4O3S — CID 54282102

IUPAC2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid
SMILESNC(N)=NNCCS(=O)(=O)O
InChIInChI=1S/C3H10N4O3S/c4-3(5)7-6-1-2-11(8,9)10/h6H,1-2H2,(H4,4,5,7)(H,8,9,10)
InChIKeyRRMQGLRSHRJISQ-UHFFFAOYSA-N
MW182.20 g/mol
LogP-2.35
Rot. Bonds4

About 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid

2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid (PubChem CID 54282102) has the molecular formula C3H10N4O3S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid.

Molecular Properties

Compound Name2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid
PubChem CID54282102
Molecular FormulaC3H10N4O3S
Molecular Weight182.20 g/mol
Exact Mass182.05
IUPAC Name2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid
SMILESNC(N)=NNCCS(=O)(=O)O
InChIInChI=1S/C3H10N4O3S/c4-3(5)7-6-1-2-11(8,9)10/h6H,1-2H2,(H4,4,5,7)(H,8,9,10)
InChIKeyRRMQGLRSHRJISQ-UHFFFAOYSA-N
XLogP-2.35
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-(carbamothioylamino)ethanesulfonic acid
CID 18341768
2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;sulfuric acid
CID 159030999
2-(4-oxobutylamino)guanidine
CID 19704325
2-(chloroamino)ethanesulfonic acid
CID 143011551
(diaminomethylideneamino)sulfamic acid
CID 23067789
methane;2-(methylamino)ethanesulfonic acid
CID 160562467
2-(chloroamino)ethanesulfonic acid;hydrate
CID 87268838
CID 87316940
CID 87316940
2-[(2-bromoacetyl)amino]ethanesulfonic acid
CID 19908000
disodium;hydride;2-(methylamino)ethanesulfonic acid
CID 173271424
2-[[2-sulfanylidene-2-(2-sulfoethylamino)ethanethioyl]amino]ethanesulfonic acid
CID 3003899
2-(carboxyamino)ethanesulfonic acid
CID 22476560

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid?
The IUPAC name of 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid (CID 54282102) is 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid.
What is the SMILES notation for 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid?
The canonical SMILES for 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid is NC(N)=NNCCS(=O)(=O)O.
What is the InChIKey of 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid?
The InChIKey is RRMQGLRSHRJISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O3S/c4-3(5)7-6-1-2-11(8,9)10/h6H,1-2H2,(H4,4,5,7)(H,8,9,10).
What are the key properties of 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid?
2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid has a molecular weight of 182.20 g/mol, XLogP of -2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid is sourced from PubChem (CID 54282102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).