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

C10H19N3O3S — CID 113349674

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)(C)CCO)[nH]1
InChIInChI=1S/C10H19N3O3S/c1-8-11-6-9(13-8)17(15,16)12-7-10(2,3)4-5-14/h6,12,14H,4-5,7H2,1-3H3,(H,11,13)
InChIKeyZDLMWSWLMXOSMT-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.41
Rot. Bonds6

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

N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 113349674) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID113349674
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)(C)CCO)[nH]1
InChIInChI=1S/C10H19N3O3S/c1-8-11-6-9(13-8)17(15,16)12-7-10(2,3)4-5-14/h6,12,14H,4-5,7H2,1-3H3,(H,11,13)
InChIKeyZDLMWSWLMXOSMT-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid
CID 65284923
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 79027971
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 112551405
N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
CID 106143797
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
2-methyl-N-(1,2,4-triazin-3-yl)-1H-imidazole-5-sulfonamide
CID 114388868

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 113349674) is N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(C)(C)CCO)[nH]1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is ZDLMWSWLMXOSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8-11-6-9(13-8)17(15,16)12-7-10(2,3)4-5-14/h6,12,14H,4-5,7H2,1-3H3,(H,11,13).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113349674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).