2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide

C8H16N4O3S — CID 106402385

IUPAC2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCCc1ncon1
InChIInChI=1S/C8H16N4O3S/c1-2-9-5-6-16(13,14)11-4-3-8-10-7-15-12-8/h7,9,11H,2-6H2,1H3
InChIKeySKHRLGYEWAUIQO-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.86
Rot. Bonds8

About 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide

2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 106402385) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide
PubChem CID106402385
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCCc1ncon1
InChIInChI=1S/C8H16N4O3S/c1-2-9-5-6-16(13,14)11-4-3-8-10-7-15-12-8/h7,9,11H,2-6H2,1H3
InChIKeySKHRLGYEWAUIQO-UHFFFAOYSA-N
XLogP-0.86
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.86
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

3-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106411298
2-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]acetic acid
CID 106395234
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
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-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
CID 81178467
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
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 114183471
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide (CID 106402385) is 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide is CCNCCS(=O)(=O)NCCc1ncon1.
What is the InChIKey of 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is SKHRLGYEWAUIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-2-9-5-6-16(13,14)11-4-3-8-10-7-15-12-8/h7,9,11H,2-6H2,1H3.
What are the key properties of 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide?
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106402385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).