3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine

C12H20N4O3S — CID 87053008

IUPAC3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESCCOc1nccnc1NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H20N4O3S/c1-3-19-12-11(13-6-7-14-12)15-10-4-8-16(9-5-10)20(2,17)18/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,15)
InChIKeyWMUHQKJBNOBPLH-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.71
Rot. Bonds5

About 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine

3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 87053008) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine
PubChem CID87053008
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESCCOc1nccnc1NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H20N4O3S/c1-3-19-12-11(13-6-7-14-12)15-10-4-8-16(9-5-10)20(2,17)18/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,15)
InChIKeyWMUHQKJBNOBPLH-UHFFFAOYSA-N
XLogP0.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine (CID 87053008) is 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine is CCOc1nccnc1NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is WMUHQKJBNOBPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-19-12-11(13-6-7-14-12)15-10-4-8-16(9-5-10)20(2,17)18/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,15).
What are the key properties of 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine?
3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 87053008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).