2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide

C11H16N4O3S — CID 166308862

IUPAC2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide
SMILESCC(C)(C)c1ncc(S(=O)(=O)NC2CC3(C2)N=N3)o1
InChIInChI=1S/C11H16N4O3S/c1-10(2,3)9-12-6-8(18-9)19(16,17)13-7-4-11(5-7)14-15-11/h6-7,13H,4-5H2,1-3H3
InChIKeyDHMZJOCEPSOJSE-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.57
Rot. Bonds3

About 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide

2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide (PubChem CID 166308862) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide
PubChem CID166308862
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide
SMILESCC(C)(C)c1ncc(S(=O)(=O)NC2CC3(C2)N=N3)o1
InChIInChI=1S/C11H16N4O3S/c1-10(2,3)9-12-6-8(18-9)19(16,17)13-7-4-11(5-7)14-15-11/h6-7,13H,4-5H2,1-3H3
InChIKeyDHMZJOCEPSOJSE-UHFFFAOYSA-N
XLogP1.57
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-(1,4-dioxepan-6-yl)-1,3-oxazole-5-sulfonamide
CID 166308541
2-tert-butyl-N-[2-[(2R,3R)-3-methyloxolan-2-yl]ethyl]-1,3-oxazole-5-sulfonamide
CID 166308830
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
N-(3,3-dichlorocyclobutyl)-3-methyl-1,2-oxazole-4-sulfonamide
CID 136561823
3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide
CID 166308849
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide
CID 166337312
4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106077357
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide
CID 103968306
5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 64733660
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide?
The IUPAC name of 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide (CID 166308862) is 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide.
What is the SMILES notation for 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide?
The canonical SMILES for 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide is CC(C)(C)c1ncc(S(=O)(=O)NC2CC3(C2)N=N3)o1.
What is the InChIKey of 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide?
The InChIKey is DHMZJOCEPSOJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-10(2,3)9-12-6-8(18-9)19(16,17)13-7-4-11(5-7)14-15-11/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide?
2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1,2-diazaspiro[2.3]hex-1-en-5-yl)-1,3-oxazole-5-sulfonamide is sourced from PubChem (CID 166308862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).