4-amino-1H-imidazole-5-sulfonamide

C3H6N4O2S — CID 12569146

IUPAC4-amino-1H-imidazole-5-sulfonamide
SMILESNc1nc[nH]c1S(N)(=O)=O
InChIInChI=1S/C3H6N4O2S/c4-2-3(7-1-6-2)10(5,8)9/h1H,4H2,(H,6,7)(H2,5,8,9)
InChIKeyQJWFVNPFVYMBKE-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.36
Rot. Bonds1

About 4-amino-1H-imidazole-5-sulfonamide

4-amino-1H-imidazole-5-sulfonamide (PubChem CID 12569146) has the molecular formula C3H6N4O2S and a molecular weight of 162.17 g/mol. Its IUPAC name is 4-amino-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name4-amino-1H-imidazole-5-sulfonamide
PubChem CID12569146
Molecular FormulaC3H6N4O2S
Molecular Weight162.17 g/mol
Exact Mass162.02
IUPAC Name4-amino-1H-imidazole-5-sulfonamide
SMILESNc1nc[nH]c1S(N)(=O)=O
InChIInChI=1S/C3H6N4O2S/c4-2-3(7-1-6-2)10(5,8)9/h1H,4H2,(H,6,7)(H2,5,8,9)
InChIKeyQJWFVNPFVYMBKE-UHFFFAOYSA-N
XLogP-1.36
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-imidazole-5-sulfonamide?
The IUPAC name of 4-amino-1H-imidazole-5-sulfonamide (CID 12569146) is 4-amino-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 4-amino-1H-imidazole-5-sulfonamide?
The canonical SMILES for 4-amino-1H-imidazole-5-sulfonamide is Nc1nc[nH]c1S(N)(=O)=O.
What is the InChIKey of 4-amino-1H-imidazole-5-sulfonamide?
The InChIKey is QJWFVNPFVYMBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2S/c4-2-3(7-1-6-2)10(5,8)9/h1H,4H2,(H,6,7)(H2,5,8,9).
What are the key properties of 4-amino-1H-imidazole-5-sulfonamide?
4-amino-1H-imidazole-5-sulfonamide has a molecular weight of 162.17 g/mol, XLogP of -1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 12569146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).