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

CID 59636884
CID 59636884
CID 68152092
CID 68152092
CID 68390334
CID 68390334
CID 89488972
CID 89488972
CID 122695917
CID 122695917

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).