amino 1,3,5-triazine-2-sulfonate

C3H4N4O3S — CID 57283303

IUPACamino 1,3,5-triazine-2-sulfonate
SMILESNOS(=O)(=O)c1ncncn1
InChIInChI=1S/C3H4N4O3S/c4-10-11(8,9)3-6-1-5-2-7-3/h1-2H,4H2
InChIKeyDKTGDYRGOREBML-UHFFFAOYSA-N
MW176.16 g/mol
LogP-1.55
Rot. Bonds2

About amino 1,3,5-triazine-2-sulfonate

amino 1,3,5-triazine-2-sulfonate (PubChem CID 57283303) has the molecular formula C3H4N4O3S and a molecular weight of 176.16 g/mol. Its IUPAC name is amino 1,3,5-triazine-2-sulfonate.

Molecular Properties

Compound Nameamino 1,3,5-triazine-2-sulfonate
PubChem CID57283303
Molecular FormulaC3H4N4O3S
Molecular Weight176.16 g/mol
Exact Mass176.00
IUPAC Nameamino 1,3,5-triazine-2-sulfonate
SMILESNOS(=O)(=O)c1ncncn1
InChIInChI=1S/C3H4N4O3S/c4-10-11(8,9)3-6-1-5-2-7-3/h1-2H,4H2
InChIKeyDKTGDYRGOREBML-UHFFFAOYSA-N
XLogP-1.55
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino 1,3,5-triazine-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Triazin-2-ylsulfonylurea
CID 54012525
4-Fluoro-1,3,5-triazine-2-sulfonyl chloride
CID 87327518
1,3,5-Triazine-2-sulfonyl fluoride
CID 139392051
4-Amino-1,3,5-triazine-2-sulfonic acid
CID 15608174
1,3,5-Triazine-2-sulfonic acid
CID 19823940
1,3,5-Triazine-2-sulfonamide
CID 20026162
1,3,5-Triazine-2-sulfonyl chloride
CID 21612059
4-(Diaminomethylideneamino)-1,3,5-triazine-2-sulfinate
CID 56630131
1,3,5-Triazine-2-sulfinate
CID 57191348
1,3,5-Triazine-2-sulfinic acid
CID 57191349
2-Sulfinatosulfonyl-1,3,5-triazine
CID 69807604
4-Chloro-1,3,5-triazine-2-sulfonyl chloride
CID 87328580

Frequently Asked Questions

What is the IUPAC name of amino 1,3,5-triazine-2-sulfonate?
The IUPAC name of amino 1,3,5-triazine-2-sulfonate (CID 57283303) is amino 1,3,5-triazine-2-sulfonate.
What is the SMILES notation for amino 1,3,5-triazine-2-sulfonate?
The canonical SMILES for amino 1,3,5-triazine-2-sulfonate is NOS(=O)(=O)c1ncncn1.
What is the InChIKey of amino 1,3,5-triazine-2-sulfonate?
The InChIKey is DKTGDYRGOREBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O3S/c4-10-11(8,9)3-6-1-5-2-7-3/h1-2H,4H2.
What are the key properties of amino 1,3,5-triazine-2-sulfonate?
amino 1,3,5-triazine-2-sulfonate has a molecular weight of 176.16 g/mol, XLogP of -1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino 1,3,5-triazine-2-sulfonate is sourced from PubChem (CID 57283303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).