1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide

C12H23N3O3S — CID 106169930

IUPAC1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)(CC)CCO)nc1C
InChIInChI=1S/C12H23N3O3S/c1-5-12(4,7-8-16)14-19(17,18)11-9-15(6-2)10(3)13-11/h9,14,16H,5-8H2,1-4H3
InChIKeyTZMDPFNLFYVVGO-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.04
Rot. Bonds7

About 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide

1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide (PubChem CID 106169930) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide
PubChem CID106169930
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)(CC)CCO)nc1C
InChIInChI=1S/C12H23N3O3S/c1-5-12(4,7-8-16)14-19(17,18)11-9-15(6-2)10(3)13-11/h9,14,16H,5-8H2,1-4H3
InChIKeyTZMDPFNLFYVVGO-UHFFFAOYSA-N
XLogP1.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79806387
N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 64557790
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76933276
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
N-(4-chloro-2,2-dimethylbutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 106145989
N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 106143878
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide
CID 103887499

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide (CID 106169930) is 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)(CC)CCO)nc1C.
What is the InChIKey of 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide?
The InChIKey is TZMDPFNLFYVVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-5-12(4,7-8-16)14-19(17,18)11-9-15(6-2)10(3)13-11/h9,14,16H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide?
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 106169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).