2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C8H15N3O3S — CID 61013517

IUPAC2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1nc(C)no1
InChIInChI=1S/C8H15N3O3S/c1-3-15(12,13)5-4-9-6-8-10-7(2)11-14-8/h9H,3-6H2,1-2H3
InChIKeyKZPXKFLVIZCMQJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.10
Rot. Bonds6

About 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 61013517) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID61013517
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1nc(C)no1
InChIInChI=1S/C8H15N3O3S/c1-3-15(12,13)5-4-9-6-8-10-7(2)11-14-8/h9H,3-6H2,1-2H3
InChIKeyKZPXKFLVIZCMQJ-UHFFFAOYSA-N
XLogP-0.10
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 60977181
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide
CID 106423734
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile
CID 65249357
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889111
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
4,4-dimethyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]hexanoic acid
CID 65287090
2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 103178672
3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 131114260
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513257
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 61013517) is 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCS(=O)(=O)CCNCc1nc(C)no1.
What is the InChIKey of 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is KZPXKFLVIZCMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-3-15(12,13)5-4-9-6-8-10-7(2)11-14-8/h9H,3-6H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 61013517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).