2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid

C8H16N6O3S — CID 118330499

IUPAC2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
SMILESCCNCc1nc(N)nc(NCCS(=O)(=O)O)n1
InChIInChI=1S/C8H16N6O3S/c1-2-10-5-6-12-7(9)14-8(13-6)11-3-4-18(15,16)17/h10H,2-5H2,1H3,(H,15,16,17)(H3,9,11,12,13,14)
InChIKeyDZPGKXVQXQHXKX-UHFFFAOYSA-N
MW276.32 g/mol
LogP-1.14
Rot. Bonds7

About 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid

2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid (PubChem CID 118330499) has the molecular formula C8H16N6O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid.

Molecular Properties

Compound Name2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
PubChem CID118330499
Molecular FormulaC8H16N6O3S
Molecular Weight276.32 g/mol
Exact Mass276.10
IUPAC Name2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
SMILESCCNCc1nc(N)nc(NCCS(=O)(=O)O)n1
InChIInChI=1S/C8H16N6O3S/c1-2-10-5-6-12-7(9)14-8(13-6)11-3-4-18(15,16)17/h10H,2-5H2,1H3,(H,15,16,17)(H3,9,11,12,13,14)
InChIKeyDZPGKXVQXQHXKX-UHFFFAOYSA-N
XLogP-1.14
TPSA143.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid 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

2-[(4-Fluoro-6-methyl-1,3,5-triazin-2-yl)amino]ethanesulfonic acid
CID 18729015
4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 142136534
2-[[4-Methyl-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 21052257
N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 21303860
4,6-dimethyl-N-(2-propan-2-ylsulfonylethyl)-1,3,5-triazin-2-amine
CID 21303872
2-[(4-Chloro-6-methyl-1,3,5-triazin-2-yl)amino]ethanesulfonic acid
CID 54190097
2-[[4-[3-(Methanesulfonamido)propyl]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 58275973
N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 59917184
2-[[4-Ethyl-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 117680455
3-[2-[(4-Amino-6-ethyl-1,3,5-triazin-2-yl)amino]ethyl-(3-sulfopropyl)amino]propane-1-sulfonic acid
CID 117680463
2-[(4-Amino-6-ethyl-1,3,5-triazin-2-yl)amino]ethanesulfonic acid
CID 117680469
2-[[4-(Ethylaminomethyl)-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 118330488

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid?
The IUPAC name of 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid (CID 118330499) is 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid.
What is the SMILES notation for 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid?
The canonical SMILES for 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid is CCNCc1nc(N)nc(NCCS(=O)(=O)O)n1.
What is the InChIKey of 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid?
The InChIKey is DZPGKXVQXQHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O3S/c1-2-10-5-6-12-7(9)14-8(13-6)11-3-4-18(15,16)17/h10H,2-5H2,1H3,(H,15,16,17)(H3,9,11,12,13,14).
What are the key properties of 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid?
2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid has a molecular weight of 276.32 g/mol, XLogP of -1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid is sourced from PubChem (CID 118330499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).