1-pentyl-2-propan-2-ylimidazole-4-sulfonamide

C11H21N3O2S — CID 81340675

IUPAC1-pentyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCCCCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C11H21N3O2S/c1-4-5-6-7-14-8-10(17(12,15)16)13-11(14)9(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15,16)
InChIKeyRNEKSVPYPCAXFA-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.84
Rot. Bonds6

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

1-pentyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81340675) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-pentyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81340675
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name1-pentyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCCCCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C11H21N3O2S/c1-4-5-6-7-14-8-10(17(12,15)16)13-11(14)9(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15,16)
InChIKeyRNEKSVPYPCAXFA-UHFFFAOYSA-N
XLogP1.84
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide (CID 81340675) is 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide is CCCCCn1cc(S(N)(=O)=O)nc1C(C)C.
What is the InChIKey of 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is RNEKSVPYPCAXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-5-6-7-14-8-10(17(12,15)16)13-11(14)9(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15,16).
What are the key properties of 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide?
1-pentyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 259.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81340675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).