N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide

C11H20N2O4S — CID 59636884

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C11H20N2O4S/c1-8-10(7-12-17-8)18(15,16)13-6-9(14)5-11(2,3)4/h7,9,13-14H,5-6H2,1-4H3
InChIKeyQVSIUJFIYYFMIC-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.06
Rot. Bonds5

About N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide

N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 59636884) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
PubChem CID59636884
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C11H20N2O4S/c1-8-10(7-12-17-8)18(15,16)13-6-9(14)5-11(2,3)4/h7,9,13-14H,5-6H2,1-4H3
InChIKeyQVSIUJFIYYFMIC-UHFFFAOYSA-N
XLogP1.06
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide (CID 59636884) is N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide is Cc1oncc1S(=O)(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QVSIUJFIYYFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-8-10(7-12-17-8)18(15,16)13-6-9(14)5-11(2,3)4/h7,9,13-14H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 59636884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).