6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine

C9H14N4O2S — CID 79827353

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine
SMILESNc1ccc(N2CCS(=O)(=O)CC2)nc1N
InChIInChI=1S/C9H14N4O2S/c10-7-1-2-8(12-9(7)11)13-3-5-16(14,15)6-4-13/h1-2H,3-6,10H2,(H2,11,12)
InChIKeyGDZNDXBCFBDEIZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.52
Rot. Bonds1

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine

6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine (PubChem CID 79827353) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine
PubChem CID79827353
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine
SMILESNc1ccc(N2CCS(=O)(=O)CC2)nc1N
InChIInChI=1S/C9H14N4O2S/c10-7-1-2-8(12-9(7)11)13-3-5-16(14,15)6-4-13/h1-2H,3-6,10H2,(H2,11,12)
InChIKeyGDZNDXBCFBDEIZ-UHFFFAOYSA-N
XLogP-0.52
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
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)pyridine-2,3-diamine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine (CID 79827353) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine is Nc1ccc(N2CCS(=O)(=O)CC2)nc1N.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine?
The InChIKey is GDZNDXBCFBDEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c10-7-1-2-8(12-9(7)11)13-3-5-16(14,15)6-4-13/h1-2H,3-6,10H2,(H2,11,12).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2,3-diamine has a molecular weight of 242.30 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 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)pyridine-2,3-diamine is sourced from PubChem (CID 79827353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).