8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C11H21N5O3S — CID 128996618

IUPAC8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN(C)S(=O)(=O)NC1CCCn2nc(COC)nc21
InChIInChI=1S/C11H21N5O3S/c1-4-15(2)20(17,18)14-9-6-5-7-16-11(9)12-10(13-16)8-19-3/h9,14H,4-8H2,1-3H3
InChIKeyWDTNMNPHQROBHB-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.05
Rot. Bonds6

About 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 128996618) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID128996618
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN(C)S(=O)(=O)NC1CCCn2nc(COC)nc21
InChIInChI=1S/C11H21N5O3S/c1-4-15(2)20(17,18)14-9-6-5-7-16-11(9)12-10(13-16)8-19-3/h9,14H,4-8H2,1-3H3
InChIKeyWDTNMNPHQROBHB-UHFFFAOYSA-N
XLogP0.05
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 128996618) is 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CCN(C)S(=O)(=O)NC1CCCn2nc(COC)nc21.
What is the InChIKey of 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WDTNMNPHQROBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-4-15(2)20(17,18)14-9-6-5-7-16-11(9)12-10(13-16)8-19-3/h9,14H,4-8H2,1-3H3.
What are the key properties of 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 303.39 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 128996618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).