5-amino-3-methylimidazole-4-sulfonamide;hydrochloride

C4H9ClN4O2S — CID 54599459

IUPAC5-amino-3-methylimidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(N)c1S(N)(=O)=O
InChIInChI=1S/C4H8N4O2S.ClH/c1-8-2-7-3(5)4(8)11(6,9)10;/h2H,5H2,1H3,(H2,6,9,10);1H
InChIKeyHGHASJCCMHOIGC-UHFFFAOYSA-N
MW212.66 g/mol
LogP-0.93
Rot. Bonds1

About 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride

5-amino-3-methylimidazole-4-sulfonamide;hydrochloride (PubChem CID 54599459) has the molecular formula C4H9ClN4O2S and a molecular weight of 212.66 g/mol. Its IUPAC name is 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-amino-3-methylimidazole-4-sulfonamide;hydrochloride
PubChem CID54599459
Molecular FormulaC4H9ClN4O2S
Molecular Weight212.66 g/mol
Exact Mass212.01
IUPAC Name5-amino-3-methylimidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(N)c1S(N)(=O)=O
InChIInChI=1S/C4H8N4O2S.ClH/c1-8-2-7-3(5)4(8)11(6,9)10;/h2H,5H2,1H3,(H2,6,9,10);1H
InChIKeyHGHASJCCMHOIGC-UHFFFAOYSA-N
XLogP-0.93
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-5-sulfonamide-4-nitroimidazole
CID 95825
4-Amino-1-methyl-1H-imidazole-5-sulfonamide
CID 279492
5-amino-1H-imidazole-4-sulfonamide
CID 12569146
n-(1-Methyl-5-sulfamoyl-1h-imidazol-4-yl)acetamide
CID 236059
5-chloro-1-methyl-1H-imidazole-4-sulfonamide
CID 1214440
5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63977922
1-Methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine
CID 63978703
5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979466
5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979673
5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979844
5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979848
5-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980049

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride (CID 54599459) is 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride is Cl.Cn1cnc(N)c1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride?
The InChIKey is HGHASJCCMHOIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S.ClH/c1-8-2-7-3(5)4(8)11(6,9)10;/h2H,5H2,1H3,(H2,6,9,10);1H.
What are the key properties of 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride?
5-amino-3-methylimidazole-4-sulfonamide;hydrochloride has a molecular weight of 212.66 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methylimidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 54599459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).