N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide

C10H20N4O3S — CID 103838100

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H20N4O3S/c1-10(15,7-13(2)3)6-12-18(16,17)9-5-14(4)8-11-9/h5,8,12,15H,6-7H2,1-4H3
InChIKeyWPSJYORFRHLMTR-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.99
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide (PubChem CID 103838100) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
PubChem CID103838100
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H20N4O3S/c1-10(15,7-13(2)3)6-12-18(16,17)9-5-14(4)8-11-9/h5,8,12,15H,6-7H2,1-4H3
InChIKeyWPSJYORFRHLMTR-UHFFFAOYSA-N
XLogP-0.99
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
CID 97355129
N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838093
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
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
CID 97355094
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide
CID 106150783
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
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 66175851

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide (CID 103838100) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is WPSJYORFRHLMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-10(15,7-13(2)3)6-12-18(16,17)9-5-14(4)8-11-9/h5,8,12,15H,6-7H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103838100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).