3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine

C11H19N3O2S — CID 79562408

IUPAC3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine
SMILESCc1cnc(C)c(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O2S/c1-8-6-12-9(2)10(14-8)13-7-11(3,4)17(5,15)16/h6H,7H2,1-5H3,(H,13,14)
InChIKeyDQTREOBZKUCIFZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.33
Rot. Bonds4

About 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine

3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine (PubChem CID 79562408) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine
PubChem CID79562408
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine
SMILESCc1cnc(C)c(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O2S/c1-8-6-12-9(2)10(14-8)13-7-11(3,4)17(5,15)16/h6H,7H2,1-5H3,(H,13,14)
InChIKeyDQTREOBZKUCIFZ-UHFFFAOYSA-N
XLogP1.33
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine (CID 79562408) is 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine is Cc1cnc(C)c(NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine?
The InChIKey is DQTREOBZKUCIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-6-12-9(2)10(14-8)13-7-11(3,4)17(5,15)16/h6H,7H2,1-5H3,(H,13,14).
What are the key properties of 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine?
3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine has a molecular weight of 257.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine is sourced from PubChem (CID 79562408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).