N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C9H16N2O4S — CID 3452396

IUPACN-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOCCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C9H16N2O4S/c1-4-14-6-5-10-16(12,13)9-7(2)11-15-8(9)3/h10H,4-6H2,1-3H3
InChIKeyLMVYNEHQDSSIQW-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.61
Rot. Bonds6

About N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3452396) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3452396
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOCCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C9H16N2O4S/c1-4-14-6-5-10-16(12,13)9-7(2)11-15-8(9)3/h10H,4-6H2,1-3H3
InChIKeyLMVYNEHQDSSIQW-UHFFFAOYSA-N
XLogP0.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
CID 100564276
3,5-dimethyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,2-oxazole-4-sulfonamide
CID 51946575
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
3,5-dimethyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110320355
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 48945511

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3452396) is N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCOCCNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is LMVYNEHQDSSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-4-14-6-5-10-16(12,13)9-7(2)11-15-8(9)3/h10H,4-6H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 248.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3452396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).