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

C12H19N3O3S — CID 43581403

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(N2CCS(=O)(=O)CC2)ccc1N
InChIInChI=1S/C12H19N3O3S/c1-2-7-18-12-10(13)3-4-11(14-12)15-5-8-19(16,17)9-6-15/h3-4H,2,5-9,13H2,1H3
InChIKeyMBTVHXZXQSCKDA-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.69
Rot. Bonds4

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

6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine (PubChem CID 43581403) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine
PubChem CID43581403
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(N2CCS(=O)(=O)CC2)ccc1N
InChIInChI=1S/C12H19N3O3S/c1-2-7-18-12-10(13)3-4-11(14-12)15-5-8-19(16,17)9-6-15/h3-4H,2,5-9,13H2,1H3
InChIKeyMBTVHXZXQSCKDA-UHFFFAOYSA-N
XLogP0.69
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.69
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-propoxypyridin-3-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine (CID 43581403) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine is CCCOc1nc(N2CCS(=O)(=O)CC2)ccc1N.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine?
The InChIKey is MBTVHXZXQSCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-7-18-12-10(13)3-4-11(14-12)15-5-8-19(16,17)9-6-15/h3-4H,2,5-9,13H2,1H3.
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxypyridin-3-amine has a molecular weight of 285.37 g/mol, XLogP of 0.69, 4 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-propoxypyridin-3-amine is sourced from PubChem (CID 43581403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).