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

C10H18N2O4S — CID 135224228

IUPACN-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)NCC(O)CC(C)C
InChIInChI=1S/C10H18N2O4S/c1-7(2)4-9(13)5-12-17(14,15)10-6-11-16-8(10)3/h6-7,9,12-13H,4-5H2,1-3H3
InChIKeyVLHIUEUFFLOGNS-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.67
Rot. Bonds6

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

N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 135224228) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
PubChem CID135224228
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)NCC(O)CC(C)C
InChIInChI=1S/C10H18N2O4S/c1-7(2)4-9(13)5-12-17(14,15)10-6-11-16-8(10)3/h6-7,9,12-13H,4-5H2,1-3H3
InChIKeyVLHIUEUFFLOGNS-UHFFFAOYSA-N
XLogP0.67
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
CID 107150811
2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 107151868
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 113431244
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272
5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107151279
N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide
CID 103834354
5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
CID 103834407
methyl 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzoate
CID 103834428
4-fluoro-N-(2-hydroxy-4-methylpentyl)-2-nitrobenzenesulfonamide
CID 107155387

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide (CID 135224228) is N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide is Cc1oncc1S(=O)(=O)NCC(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VLHIUEUFFLOGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-7(2)4-9(13)5-12-17(14,15)10-6-11-16-8(10)3/h6-7,9,12-13H,4-5H2,1-3H3.
What are the key properties of N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide?
N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 135224228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).