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

C10H17N5O2S2 — CID 80883525

IUPAC4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)CCSc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N5O2S2/c1-19(16,17)7-6-18-10-13-8(11)12-9(14-10)15-4-2-3-5-15/h2-7H2,1H3,(H2,11,12,13,14)
InChIKeyDKMDAJQVBQKJTH-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.19
Rot. Bonds5

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

4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80883525) has the molecular formula C10H17N5O2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80883525
Molecular FormulaC10H17N5O2S2
Molecular Weight303.41 g/mol
Exact Mass303.08
IUPAC Name4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)CCSc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N5O2S2/c1-19(16,17)7-6-18-10-13-8(11)12-9(14-10)15-4-2-3-5-15/h2-7H2,1H3,(H2,11,12,13,14)
InChIKeyDKMDAJQVBQKJTH-UHFFFAOYSA-N
XLogP0.19
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80883525) is 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CS(=O)(=O)CCSc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DKMDAJQVBQKJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S2/c1-19(16,17)7-6-18-10-13-8(11)12-9(14-10)15-4-2-3-5-15/h2-7H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 303.41 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).