N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide

C10H19N3O5S — CID 107848291

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)(CO)CO)nc1C
InChIInChI=1S/C10H19N3O5S/c1-3-13-4-9(11-8(13)2)19(17,18)12-10(5-14,6-15)7-16/h4,12,14-16H,3,5-7H2,1-2H3
InChIKeyGGMGJHXYNTVWRS-UHFFFAOYSA-N
MW293.35 g/mol
LogP-1.79
Rot. Bonds7

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 107848291) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID107848291
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)(CO)CO)nc1C
InChIInChI=1S/C10H19N3O5S/c1-3-13-4-9(11-8(13)2)19(17,18)12-10(5-14,6-15)7-16/h4,12,14-16H,3,5-7H2,1-2H3
InChIKeyGGMGJHXYNTVWRS-UHFFFAOYSA-N
XLogP-1.79
TPSA124.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide
CID 106169930
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79806387
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76933276
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
CID 104600270
1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
CID 65113290
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide (CID 107848291) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(CO)(CO)CO)nc1C.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is GGMGJHXYNTVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-3-13-4-9(11-8(13)2)19(17,18)12-10(5-14,6-15)7-16/h4,12,14-16H,3,5-7H2,1-2H3.
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of -1.79, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107848291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).