N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide

C10H19N3O3S — CID 103908429

IUPACN-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(O)CC(C)C)[nH]1
InChIInChI=1S/C10H19N3O3S/c1-7(2)4-9(14)5-12-17(15,16)10-6-11-8(3)13-10/h6-7,9,12,14H,4-5H2,1-3H3,(H,11,13)
InChIKeyWWNVGBVZLVGNAW-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.40
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide

N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 103908429) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID103908429
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(O)CC(C)C)[nH]1
InChIInChI=1S/C10H19N3O3S/c1-7(2)4-9(14)5-12-17(15,16)10-6-11-8(3)13-10/h6-7,9,12,14H,4-5H2,1-3H3,(H,11,13)
InChIKeyWWNVGBVZLVGNAW-UHFFFAOYSA-N
XLogP0.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 103908429) is N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(O)CC(C)C)[nH]1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is WWNVGBVZLVGNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7(2)4-9(14)5-12-17(15,16)10-6-11-8(3)13-10/h6-7,9,12,14H,4-5H2,1-3H3,(H,11,13).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103908429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).