N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide

C9H17N3O3S — CID 79256266

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H17N3O3S/c1-7(2)8(5-13)11-16(14,15)9-4-12(3)6-10-9/h4,6-8,11,13H,5H2,1-3H3/t8-/m1/s1
InChIKeyXEAPHVKJPQTZHM-MRVPVSSYSA-N
MW247.32 g/mol
LogP-0.28
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 79256266) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide
PubChem CID79256266
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H17N3O3S/c1-7(2)8(5-13)11-16(14,15)9-4-12(3)6-10-9/h4,6-8,11,13H,5H2,1-3H3/t8-/m1/s1
InChIKeyXEAPHVKJPQTZHM-MRVPVSSYSA-N
XLogP-0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 78989396
N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 66175851
2-[(1-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 62374949
1-methyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
CID 115662679
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide
CID 125447722
2-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62675882
N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 138041253
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
2-[(1-methylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 55068751
N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide (CID 79256266) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide is CC(C)[C@@H](CO)NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is XEAPHVKJPQTZHM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(2)8(5-13)11-16(14,15)9-4-12(3)6-10-9/h4,6-8,11,13H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 79256266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).