2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine

C11H17N3O2S — CID 54975204

IUPAC2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine
SMILESCCOc1nc(N2CCS(=O)CC2)ccc1N
InChIInChI=1S/C11H17N3O2S/c1-2-16-11-9(12)3-4-10(13-11)14-5-7-17(15)8-6-14/h3-4H,2,5-8,12H2,1H3
InChIKeyMWPOYLPXOANVNH-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.63
Rot. Bonds3

About 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine

2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine (PubChem CID 54975204) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine
PubChem CID54975204
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine
SMILESCCOc1nc(N2CCS(=O)CC2)ccc1N
InChIInChI=1S/C11H17N3O2S/c1-2-16-11-9(12)3-4-10(13-11)14-5-7-17(15)8-6-14/h3-4H,2,5-8,12H2,1H3
InChIKeyMWPOYLPXOANVNH-UHFFFAOYSA-N
XLogP0.63
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine?
The IUPAC name of 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine (CID 54975204) is 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine?
The canonical SMILES for 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine is CCOc1nc(N2CCS(=O)CC2)ccc1N.
What is the InChIKey of 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine?
The InChIKey is MWPOYLPXOANVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-16-11-9(12)3-4-10(13-11)14-5-7-17(15)8-6-14/h3-4H,2,5-8,12H2,1H3.
What are the key properties of 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine?
2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine has a molecular weight of 255.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine is sourced from PubChem (CID 54975204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).