2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide

C8H15N3O3S — CID 81178467

IUPAC2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1ccon1
InChIInChI=1S/C8H15N3O3S/c1-2-9-4-6-15(12,13)10-7-8-3-5-14-11-8/h3,5,9-10H,2,4,6-7H2,1H3
InChIKeyKQZCYOCGMBQICL-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.30
Rot. Bonds7

About 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide

2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide (PubChem CID 81178467) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
PubChem CID81178467
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1ccon1
InChIInChI=1S/C8H15N3O3S/c1-2-9-4-6-15(12,13)10-7-8-3-5-14-11-8/h3,5,9-10H,2,4,6-7H2,1H3
InChIKeyKQZCYOCGMBQICL-UHFFFAOYSA-N
XLogP-0.30
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide
CID 81174320
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869
methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
CID 79477880
2-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 106724059
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 106419997
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 81170893
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide
CID 106402385
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 81176676
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54973910
1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
CID 81169954
N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54972142

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide (CID 81178467) is 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide is CCNCCS(=O)(=O)NCc1ccon1.
What is the InChIKey of 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide?
The InChIKey is KQZCYOCGMBQICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-2-9-4-6-15(12,13)10-7-8-3-5-14-11-8/h3,5,9-10H,2,4,6-7H2,1H3.
What are the key properties of 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide?
2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 81178467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).