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

C9H16N2O4S — CID 39350742

IUPACN-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C9H16N2O4S/c1-4-11(5-6-12)16(13,14)9-7(2)10-15-8(9)3/h12H,4-6H2,1-3H3
InChIKeyWPUWMABPNQIJLB-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.29
Rot. Bonds5

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

N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 39350742) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID39350742
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C9H16N2O4S/c1-4-11(5-6-12)16(13,14)9-7(2)10-15-8(9)3/h12H,4-6H2,1-3H3
InChIKeyWPUWMABPNQIJLB-UHFFFAOYSA-N
XLogP0.29
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 39350742) is N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCN(CCO)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is WPUWMABPNQIJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-4-11(5-6-12)16(13,14)9-7(2)10-15-8(9)3/h12H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 248.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 39350742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).