2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide

C9H19N7O2S — CID 80788682

IUPAC2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCCN(CC)c1nc(N)nc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C9H19N7O2S/c1-3-16(4-2)9-14-7(10)13-8(15-9)12-5-6-19(11,17)18/h3-6H2,1-2H3,(H2,11,17,18)(H3,10,12,13,14,15)
InChIKeySLBJSRXBTZVXFN-UHFFFAOYSA-N
MW289.37 g/mol
LogP-1.00
Rot. Bonds7

About 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide

2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide (PubChem CID 80788682) has the molecular formula C9H19N7O2S and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
PubChem CID80788682
Molecular FormulaC9H19N7O2S
Molecular Weight289.37 g/mol
Exact Mass289.13
IUPAC Name2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCCN(CC)c1nc(N)nc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C9H19N7O2S/c1-3-16(4-2)9-14-7(10)13-8(15-9)12-5-6-19(11,17)18/h3-6H2,1-2H3,(H2,11,17,18)(H3,10,12,13,14,15)
InChIKeySLBJSRXBTZVXFN-UHFFFAOYSA-N
XLogP-1.00
TPSA140.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343509
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80906358
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241608
2-N,2-N-diethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 106433977
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide
CID 106343446
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80757025
2-N,2-N-diethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804891

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide (CID 80788682) is 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide is CCN(CC)c1nc(N)nc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The InChIKey is SLBJSRXBTZVXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N7O2S/c1-3-16(4-2)9-14-7(10)13-8(15-9)12-5-6-19(11,17)18/h3-6H2,1-2H3,(H2,11,17,18)(H3,10,12,13,14,15).
What are the key properties of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide has a molecular weight of 289.37 g/mol, XLogP of -1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 80788682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).