N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide

C14H27N3O3S — CID 107155350

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(O)CC(C)(C)C)nc1C
InChIInChI=1S/C14H27N3O3S/c1-6-7-17-10-13(16-11(17)2)21(19,20)15-9-12(18)8-14(3,4)5/h10,12,15,18H,6-9H2,1-5H3
InChIKeyUEKFGMYIVFACPH-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.68
Rot. Bonds7

About N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 107155350) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID107155350
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(O)CC(C)(C)C)nc1C
InChIInChI=1S/C14H27N3O3S/c1-6-7-17-10-13(16-11(17)2)21(19,20)15-9-12(18)8-14(3,4)5/h10,12,15,18H,6-9H2,1-5H3
InChIKeyUEKFGMYIVFACPH-UHFFFAOYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide
CID 130410993
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 114295175
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 106143878
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 107155350) is N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(O)CC(C)(C)C)nc1C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is UEKFGMYIVFACPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-6-7-17-10-13(16-11(17)2)21(19,20)15-9-12(18)8-14(3,4)5/h10,12,15,18H,6-9H2,1-5H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 107155350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).