N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H19N5O2S2 — CID 80882410

IUPACN-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(SCCS(C)(=O)=O)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O2S2/c1-12-9-13-10(16-5-3-4-6-16)15-11(14-9)19-7-8-20(2,17)18/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyOMAJKVNXVBNVIT-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.65
Rot. Bonds6

About N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80882410) has the molecular formula C11H19N5O2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80882410
Molecular FormulaC11H19N5O2S2
Molecular Weight317.44 g/mol
Exact Mass317.10
IUPAC NameN-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(SCCS(C)(=O)=O)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O2S2/c1-12-9-13-10(16-5-3-4-6-16)15-11(14-9)19-7-8-20(2,17)18/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyOMAJKVNXVBNVIT-UHFFFAOYSA-N
XLogP0.65
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80882410) is N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(SCCS(C)(=O)=O)nc(N2CCCC2)n1.
What is the InChIKey of N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OMAJKVNXVBNVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S2/c1-12-9-13-10(16-5-3-4-6-16)15-11(14-9)19-7-8-20(2,17)18/h3-8H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 317.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80882410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).