N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide

C7H13N3O3S — CID 79027971

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N[C@H](C)CO)[nH]1
InChIInChI=1S/C7H13N3O3S/c1-5(4-11)10-14(12,13)7-3-8-6(2)9-7/h3,5,10-11H,4H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyKQLJSNJIAUNJLO-RXMQYKEDSA-N
MW219.27 g/mol
LogP-0.62
Rot. Bonds4

About N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide

N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 79027971) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID79027971
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N[C@H](C)CO)[nH]1
InChIInChI=1S/C7H13N3O3S/c1-5(4-11)10-14(12,13)7-3-8-6(2)9-7/h3,5,10-11H,4H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyKQLJSNJIAUNJLO-RXMQYKEDSA-N
XLogP-0.62
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 104873303
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943227
(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid
CID 104936066
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114150899
2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
CID 79246204
N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114212253
N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113349674
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
CID 115897720
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 112551405

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide (CID 79027971) is N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N[C@H](C)CO)[nH]1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is KQLJSNJIAUNJLO-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-5(4-11)10-14(12,13)7-3-8-6(2)9-7/h3,5,10-11H,4H2,1-2H3,(H,8,9)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79027971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).