N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide

C13H25N3O3S — CID 62064467

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(CO)CC(C)C)nc1C
InChIInChI=1S/C13H25N3O3S/c1-5-6-16-8-13(14-11(16)4)20(18,19)15-12(9-17)7-10(2)3/h8,10,12,15,17H,5-7,9H2,1-4H3
InChIKeyKWXQPXHNJIJOCH-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.29
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 62064467) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID62064467
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(CO)CC(C)C)nc1C
InChIInChI=1S/C13H25N3O3S/c1-5-6-16-8-13(14-11(16)4)20(18,19)15-12(9-17)7-10(2)3/h8,10,12,15,17H,5-7,9H2,1-4H3
InChIKeyKWXQPXHNJIJOCH-UHFFFAOYSA-N
XLogP1.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 62064467) is N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC(CO)CC(C)C)nc1C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is KWXQPXHNJIJOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-5-6-16-8-13(14-11(16)4)20(18,19)15-12(9-17)7-10(2)3/h8,10,12,15,17H,5-7,9H2,1-4H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62064467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).