1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide

C10H19N3O3S — CID 81339724

IUPAC1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCOCCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C10H19N3O3S/c1-8(2)10-12-9(17(11,14)15)7-13(10)5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H2,11,14,15)
InChIKeyQXALUHBCVVFKGX-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.69
Rot. Bonds6

About 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide

1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81339724) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81339724
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCOCCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C10H19N3O3S/c1-8(2)10-12-9(17(11,14)15)7-13(10)5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H2,11,14,15)
InChIKeyQXALUHBCVVFKGX-UHFFFAOYSA-N
XLogP0.69
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide (CID 81339724) is 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide is COCCCn1cc(S(N)(=O)=O)nc1C(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is QXALUHBCVVFKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8(2)10-12-9(17(11,14)15)7-13(10)5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H2,11,14,15).
What are the key properties of 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide?
1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81339724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).