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

C8H12N2O4S — CID 64994317

IUPAC3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
SMILESCC(=O)CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C8H12N2O4S/c1-5(11)4-9-15(12,13)8-6(2)10-14-7(8)3/h9H,4H2,1-3H3
InChIKeyPKERJEDMNMZDIZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP0.16
Rot. Bonds4

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

3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide (PubChem CID 64994317) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
PubChem CID64994317
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
SMILESCC(=O)CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C8H12N2O4S/c1-5(11)4-9-15(12,13)8-6(2)10-14-7(8)3/h9H,4H2,1-3H3
InChIKeyPKERJEDMNMZDIZ-UHFFFAOYSA-N
XLogP0.16
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-(3-acetylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295792
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052089
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
N-tert-butyl-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056671
methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 110295798
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103834780
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 26942614

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide (CID 64994317) is 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide is CC(=O)CNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is PKERJEDMNMZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-5(11)4-9-15(12,13)8-6(2)10-14-7(8)3/h9H,4H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 232.26 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 64994317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).