3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine

C11H17N5O2S — CID 97055792

IUPAC3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN(C)S(=O)(=O)N[C@@H](C)c1nnc2ccccn12
InChIInChI=1S/C11H17N5O2S/c1-4-15(3)19(17,18)14-9(2)11-13-12-10-7-5-6-8-16(10)11/h5-9,14H,4H2,1-3H3/t9-/m0/s1
InChIKeyZFRCMZTYOFWPDB-VIFPVBQESA-N
MW283.36 g/mol
LogP0.58
Rot. Bonds5

About 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 97055792) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID97055792
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN(C)S(=O)(=O)N[C@@H](C)c1nnc2ccccn12
InChIInChI=1S/C11H17N5O2S/c1-4-15(3)19(17,18)14-9(2)11-13-12-10-7-5-6-8-16(10)11/h5-9,14H,4H2,1-3H3/t9-/m0/s1
InChIKeyZFRCMZTYOFWPDB-VIFPVBQESA-N
XLogP0.58
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 97055792) is 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine is CCN(C)S(=O)(=O)N[C@@H](C)c1nnc2ccccn12.
What is the InChIKey of 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZFRCMZTYOFWPDB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-4-15(3)19(17,18)14-9(2)11-13-12-10-7-5-6-8-16(10)11/h5-9,14H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 283.36 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[[ethyl(methyl)sulfamoyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 97055792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).