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

C9H13N3O2S — CID 80647193

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine
SMILESNc1cccc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H13N3O2S/c10-8-2-1-3-9(11-8)12-4-6-15(13,14)7-5-12/h1-3H,4-7H2,(H2,10,11)
InChIKeyOFGDYMKZLMRUBU-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.10
Rot. Bonds1

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

6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine (PubChem CID 80647193) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine
PubChem CID80647193
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine
SMILESNc1cccc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H13N3O2S/c10-8-2-1-3-9(11-8)12-4-6-15(13,14)7-5-12/h1-3H,4-7H2,(H2,10,11)
InChIKeyOFGDYMKZLMRUBU-UHFFFAOYSA-N
XLogP-0.10
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine (CID 80647193) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine is Nc1cccc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine?
The InChIKey is OFGDYMKZLMRUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-8-2-1-3-9(11-8)12-4-6-15(13,14)7-5-12/h1-3H,4-7H2,(H2,10,11).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine has a molecular weight of 227.29 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine is sourced from PubChem (CID 80647193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).