2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine

C10H19N5O2S2 — CID 80882628

IUPAC2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C10H19N5O2S2/c1-4-15(5-2)9-12-8(11)13-10(14-9)18-6-7-19(3,16)17/h4-7H2,1-3H3,(H2,11,12,13,14)
InChIKeyFFIVUNCKKAIVND-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.44
Rot. Bonds7

About 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80882628) has the molecular formula C10H19N5O2S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine
PubChem CID80882628
Molecular FormulaC10H19N5O2S2
Molecular Weight305.43 g/mol
Exact Mass305.10
IUPAC Name2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C10H19N5O2S2/c1-4-15(5-2)9-12-8(11)13-10(14-9)18-6-7-19(3,16)17/h4-7H2,1-3H3,(H2,11,12,13,14)
InChIKeyFFIVUNCKKAIVND-UHFFFAOYSA-N
XLogP0.44
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine (CID 80882628) is 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(SCCS(C)(=O)=O)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FFIVUNCKKAIVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S2/c1-4-15(5-2)9-12-8(11)13-10(14-9)18-6-7-19(3,16)17/h4-7H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 305.43 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80882628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).