1-(2-methylpentyl)imidazole-4-sulfonamide

C9H17N3O2S — CID 81341025

IUPAC1-(2-methylpentyl)imidazole-4-sulfonamide
SMILESCCCC(C)Cn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C9H17N3O2S/c1-3-4-8(2)5-12-6-9(11-7-12)15(10,13)14/h6-8H,3-5H2,1-2H3,(H2,10,13,14)
InChIKeyOXLCCMUTJDEAKB-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.97
Rot. Bonds5

About 1-(2-methylpentyl)imidazole-4-sulfonamide

1-(2-methylpentyl)imidazole-4-sulfonamide (PubChem CID 81341025) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(2-methylpentyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-methylpentyl)imidazole-4-sulfonamide
PubChem CID81341025
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-(2-methylpentyl)imidazole-4-sulfonamide
SMILESCCCC(C)Cn1cnc(S(N)(=O)=O)c1
InChIInChI=1S/C9H17N3O2S/c1-3-4-8(2)5-12-6-9(11-7-12)15(10,13)14/h6-8H,3-5H2,1-2H3,(H2,10,13,14)
InChIKeyOXLCCMUTJDEAKB-UHFFFAOYSA-N
XLogP0.97
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)imidazole-4-sulfonamide?
The IUPAC name of 1-(2-methylpentyl)imidazole-4-sulfonamide (CID 81341025) is 1-(2-methylpentyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-(2-methylpentyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-(2-methylpentyl)imidazole-4-sulfonamide is CCCC(C)Cn1cnc(S(N)(=O)=O)c1.
What is the InChIKey of 1-(2-methylpentyl)imidazole-4-sulfonamide?
The InChIKey is OXLCCMUTJDEAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-4-8(2)5-12-6-9(11-7-12)15(10,13)14/h6-8H,3-5H2,1-2H3,(H2,10,13,14).
What are the key properties of 1-(2-methylpentyl)imidazole-4-sulfonamide?
1-(2-methylpentyl)imidazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81341025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).