N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide

C9H17N3O3S — CID 115362968

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(C)(C)CO)c1
InChIInChI=1S/C9H17N3O3S/c1-9(2,6-13)5-11-16(14,15)8-4-12(3)7-10-8/h4,7,11,13H,5-6H2,1-3H3
InChIKeyRGJDKCHJIAAQSO-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.28
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide

N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 115362968) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
PubChem CID115362968
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(C)(C)CO)c1
InChIInChI=1S/C9H17N3O3S/c1-9(2,6-13)5-11-16(14,15)8-4-12(3)7-10-8/h4,7,11,13H,5-6H2,1-3H3
InChIKeyRGJDKCHJIAAQSO-UHFFFAOYSA-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

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838100
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
CID 97355129
N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
CID 104873854
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
CID 97355076
N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 66175851
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
CID 97355094
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
4,4-dimethyl-2-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 107474612
1-methyl-N-(2-methylbutan-2-yl)imidazole-4-sulfonamide
CID 46345219
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
N-(1-chloro-2-methylpropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 65033444
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide (CID 115362968) is N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(C)(C)CO)c1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is RGJDKCHJIAAQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-9(2,6-13)5-11-16(14,15)8-4-12(3)7-10-8/h4,7,11,13H,5-6H2,1-3H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide?
N-(3-hydroxy-2,2-dimethylpropyl)-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-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 115362968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).