N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine

C9H14N4O2S — CID 21303860

IUPACN-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)CCNc1nc(C)nc(C)n1
InChIInChI=1S/C9H14N4O2S/c1-4-16(14,15)6-5-10-9-12-7(2)11-8(3)13-9/h4H,1,5-6H2,2-3H3,(H,10,11,12,13)
InChIKeyRTSBPOAWESWVAS-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.46
Rot. Bonds5

About N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine

N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine (PubChem CID 21303860) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine
PubChem CID21303860
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)CCNc1nc(C)nc(C)n1
InChIInChI=1S/C9H14N4O2S/c1-4-16(14,15)6-5-10-9-12-7(2)11-8(3)13-9/h4H,1,5-6H2,2-3H3,(H,10,11,12,13)
InChIKeyRTSBPOAWESWVAS-UHFFFAOYSA-N
XLogP0.46
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-Fluoro-6-methyl-1,3,5-triazin-2-yl)amino]ethanesulfonic acid
CID 18729015
N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine
CID 21303869
N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
CID 23532474
4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 142136534
4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
CID 20792598
2-[[4-Methyl-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 21052257
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
4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
CID 89249817
2-[[4-Amino-6-(ethylaminomethyl)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 118330499
4-Methyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868021
6-ethyl-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 112746187

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine (CID 21303860) is N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine is C=CS(=O)(=O)CCNc1nc(C)nc(C)n1.
What is the InChIKey of N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is RTSBPOAWESWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-4-16(14,15)6-5-10-9-12-7(2)11-8(3)13-9/h4H,1,5-6H2,2-3H3,(H,10,11,12,13).
What are the key properties of N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 242.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 21303860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).