(diaminomethylideneamino)sulfamic acid

CH6N4O3S — CID 23067789

IUPAC(diaminomethylideneamino)sulfamic acid
SMILESNC(N)=NNS(=O)(=O)O
InChIInChI=1S/CH6N4O3S/c2-1(3)4-5-9(6,7)8/h5H,(H4,2,3,4)(H,6,7,8)
InChIKeyAVLIWXVSKWHLAB-UHFFFAOYSA-N
MW154.15 g/mol
LogP-2.43
Rot. Bonds2

About (diaminomethylideneamino)sulfamic acid

(diaminomethylideneamino)sulfamic acid (PubChem CID 23067789) has the molecular formula CH6N4O3S and a molecular weight of 154.15 g/mol. Its IUPAC name is (diaminomethylideneamino)sulfamic acid.

Molecular Properties

Compound Name(diaminomethylideneamino)sulfamic acid
PubChem CID23067789
Molecular FormulaCH6N4O3S
Molecular Weight154.15 g/mol
Exact Mass154.02
IUPAC Name(diaminomethylideneamino)sulfamic acid
SMILESNC(N)=NNS(=O)(=O)O
InChIInChI=1S/CH6N4O3S/c2-1(3)4-5-9(6,7)8/h5H,(H4,2,3,4)(H,6,7,8)
InChIKeyAVLIWXVSKWHLAB-UHFFFAOYSA-N
XLogP-2.43
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-(diaminomethylidene)hydrazinyl]ethanesulfonic acid
CID 54282102
2-[(4-iodophenyl)sulfonylamino]guanidine
CID 10593216
guanidine;sulfuric acid
CID 159331300
2-hydroxyguanidine;sulfuric acid;hydrate
CID 86674791
(diaminomethylideneamino)urea;hydrochloride
CID 87522234
[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
CID 45098057
guanidine;sulfuric acid;urea
CID 87661004
(diaminomethylideneamino)carbamic acid;hydrate
CID 139065812
hydroxyurea;sulfuric acid
CID 170163620
disodium;2-aminoguanidine;sulfate
CID 172846071
2-(4-aminobutyl)guanidine;sulfuric acid
CID 2794990
2-propan-2-ylguanidine;sulfuric acid
CID 11644095

Frequently Asked Questions

What is the IUPAC name of (diaminomethylideneamino)sulfamic acid?
The IUPAC name of (diaminomethylideneamino)sulfamic acid (CID 23067789) is (diaminomethylideneamino)sulfamic acid.
What is the SMILES notation for (diaminomethylideneamino)sulfamic acid?
The canonical SMILES for (diaminomethylideneamino)sulfamic acid is NC(N)=NNS(=O)(=O)O.
What is the InChIKey of (diaminomethylideneamino)sulfamic acid?
The InChIKey is AVLIWXVSKWHLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N4O3S/c2-1(3)4-5-9(6,7)8/h5H,(H4,2,3,4)(H,6,7,8).
What are the key properties of (diaminomethylideneamino)sulfamic acid?
(diaminomethylideneamino)sulfamic acid has a molecular weight of 154.15 g/mol, XLogP of -2.43, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino)sulfamic acid is sourced from PubChem (CID 23067789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).