3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole

C10H21N5O3S — CID 106411298

IUPAC3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole
SMILESCCNCCCN(C)S(=O)(=O)NCCc1ncon1
InChIInChI=1S/C10H21N5O3S/c1-3-11-6-4-8-15(2)19(16,17)13-7-5-10-12-9-18-14-10/h9,11,13H,3-8H2,1-2H3
InChIKeyPPENIVBBDBJWBI-UHFFFAOYSA-N
MW291.38 g/mol
LogP-0.62
Rot. Bonds10

About 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole

3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole (PubChem CID 106411298) has the molecular formula C10H21N5O3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole
PubChem CID106411298
Molecular FormulaC10H21N5O3S
Molecular Weight291.38 g/mol
Exact Mass291.14
IUPAC Name3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole
SMILESCCNCCCN(C)S(=O)(=O)NCCc1ncon1
InChIInChI=1S/C10H21N5O3S/c1-3-11-6-4-8-15(2)19(16,17)13-7-5-10-12-9-18-14-10/h9,11,13H,3-8H2,1-2H3
InChIKeyPPENIVBBDBJWBI-UHFFFAOYSA-N
XLogP-0.62
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide
CID 106402385
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
CID 106085278
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106411271
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106408027
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole (CID 106411298) is 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole is CCNCCCN(C)S(=O)(=O)NCCc1ncon1.
What is the InChIKey of 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole?
The InChIKey is PPENIVBBDBJWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O3S/c1-3-11-6-4-8-15(2)19(16,17)13-7-5-10-12-9-18-14-10/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole?
3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole has a molecular weight of 291.38 g/mol, XLogP of -0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106411298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).