N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H24N2O3S — CID 58624073

IUPACN,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2O3S/c1-9-11(10(2)18-14-9)19(16,17)15(12(3,4)5)13(6,7)8/h1-8H3
InChIKeyAHHFIBDNPVLJTF-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.88
Rot. Bonds2

About N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 58624073) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID58624073
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2O3S/c1-9-11(10(2)18-14-9)19(16,17)15(12(3,4)5)13(6,7)8/h1-8H3
InChIKeyAHHFIBDNPVLJTF-UHFFFAOYSA-N
XLogP2.88
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
3,5-dimethyl-1,2-oxazole-4-sulfonic acid;hydrochloride
CID 142193627
N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39350742
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
CID 28708029
N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3801195
N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 113094567
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
N-(1-bromopropan-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 104556356
N-(2-chloroethyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
CID 63397028
N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide
CID 34136811
N-(1-cyclopropylethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 134018149

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 58624073) is N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is AHHFIBDNPVLJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-9-11(10(2)18-14-9)19(16,17)15(12(3,4)5)13(6,7)8/h1-8H3.
What are the key properties of N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 58624073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).