1-propan-2-ylimidazole-4-sulfonamide

C6H11N3O2S — CID 71757215

IUPAC1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
InChIKeyDEJLCHRMKBBNPV-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.11
Rot. Bonds2

About 1-propan-2-ylimidazole-4-sulfonamide

1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 71757215) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-ylimidazole-4-sulfonamide
PubChem CID71757215
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
InChIKeyDEJLCHRMKBBNPV-UHFFFAOYSA-N
XLogP0.11
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-propan-2-ylimidazole-4-sulfonamide (CID 71757215) is 1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(N)(=O)=O)c1.
What is the InChIKey of 1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is DEJLCHRMKBBNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11).
What are the key properties of 1-propan-2-ylimidazole-4-sulfonamide?
1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 71757215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).