6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine

C11H19N3O3S — CID 133375005

IUPAC6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
SMILESCCOc1cncc(NC(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O3S/c1-4-17-11-8-12-7-10(14-11)13-9(2)5-6-18(3,15)16/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyUZSVNVOZICCVJD-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.11
Rot. Bonds7

About 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine

6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine (PubChem CID 133375005) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
PubChem CID133375005
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
SMILESCCOc1cncc(NC(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O3S/c1-4-17-11-8-12-7-10(14-11)13-9(2)5-6-18(3,15)16/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyUZSVNVOZICCVJD-UHFFFAOYSA-N
XLogP1.11
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine?
The IUPAC name of 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine (CID 133375005) is 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine?
The canonical SMILES for 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine is CCOc1cncc(NC(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine?
The InChIKey is UZSVNVOZICCVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-4-17-11-8-12-7-10(14-11)13-9(2)5-6-18(3,15)16/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine?
6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine has a molecular weight of 273.36 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 133375005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).