6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine

C11H17N3O3S — CID 43581401

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1nc(N2CCS(=O)(=O)CC2)ccc1N
InChIInChI=1S/C11H17N3O3S/c1-2-17-11-9(12)3-4-10(13-11)14-5-7-18(15,16)8-6-14/h3-4H,2,5-8,12H2,1H3
InChIKeyLKWBUCFAMKVGGK-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.30
Rot. Bonds3

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine (PubChem CID 43581401) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine
PubChem CID43581401
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1nc(N2CCS(=O)(=O)CC2)ccc1N
InChIInChI=1S/C11H17N3O3S/c1-2-17-11-9(12)3-4-10(13-11)14-5-7-18(15,16)8-6-14/h3-4H,2,5-8,12H2,1H3
InChIKeyLKWBUCFAMKVGGK-UHFFFAOYSA-N
XLogP0.30
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine (CID 43581401) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine is CCOc1nc(N2CCS(=O)(=O)CC2)ccc1N.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine?
The InChIKey is LKWBUCFAMKVGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-17-11-9(12)3-4-10(13-11)14-5-7-18(15,16)8-6-14/h3-4H,2,5-8,12H2,1H3.
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine has a molecular weight of 271.34 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethoxypyridin-3-amine is sourced from PubChem (CID 43581401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).