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

C9H20N8O2S — CID 80906358

IUPAC2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCCN(CC)c1nc(NN)nc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C9H20N8O2S/c1-3-17(4-2)9-14-7(13-8(15-9)16-10)12-5-6-20(11,18)19/h3-6,10H2,1-2H3,(H2,11,18,19)(H2,12,13,14,15,16)
InChIKeyQDKDFOQNOKICES-UHFFFAOYSA-N
MW304.38 g/mol
LogP-1.30
Rot. Bonds8

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

2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide (PubChem CID 80906358) has the molecular formula C9H20N8O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
PubChem CID80906358
Molecular FormulaC9H20N8O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC Name2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCCN(CC)c1nc(NN)nc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C9H20N8O2S/c1-3-17(4-2)9-14-7(13-8(15-9)16-10)12-5-6-20(11,18)19/h3-6,10H2,1-2H3,(H2,11,18,19)(H2,12,13,14,15,16)
InChIKeyQDKDFOQNOKICES-UHFFFAOYSA-N
XLogP-1.30
TPSA152.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343509
4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 106332376
4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80907702
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80901070
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113467023
4-N,4-N-diethyl-6-hydrazinyl-2-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80906512
6-chloro-2-N,2-N-diethyl-4-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863799
1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159869
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide (CID 80906358) is 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide is CCN(CC)c1nc(NN)nc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The InChIKey is QDKDFOQNOKICES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N8O2S/c1-3-17(4-2)9-14-7(13-8(15-9)16-10)12-5-6-20(11,18)19/h3-6,10H2,1-2H3,(H2,11,18,19)(H2,12,13,14,15,16).
What are the key properties of 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide has a molecular weight of 304.38 g/mol, XLogP of -1.30, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 80906358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).