2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C18H26IN5O2S — CID 111043857

About 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111043857) has the molecular formula C18H26IN5O2S and a molecular weight of 503.41 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
• PubChem CID: 111043857
• Molecular Formula: C18H26IN5O2S
• Molecular Weight: 503.41 g/mol
• Exact Mass: 503.09
• IUPAC Name: 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
• SMILES: Cc1ccc(C)c(S(=O)(=O)NCC/N=C(\N)NCCc2ccccn2)c1.I
• InChI: InChI=1S/C18H25N5O2S.HI/c1-14-6-7-15(2)17(13-14)26(24,25)23-12-11-22-18(19)21-10-8-16-5-3-4-9-20-16;/h3-7,9,13,23H,8,10-12H2,1-2H3,(H3,19,21,22);1H
• InChIKey: MWKIJIQTPPEVBX-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 109.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.41
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?

The IUPAC name of 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111043857) is 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

What is the SMILES notation for 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?

The canonical SMILES for 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is Cc1ccc(C)c(S(=O)(=O)NCC/N=C(\N)NCCc2ccccn2)c1.I.

What is the InChIKey of 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?

The InChIKey is MWKIJIQTPPEVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S.HI/c1-14-6-7-15(2)17(13-14)26(24,25)23-12-11-22-18(19)21-10-8-16-5-3-4-9-20-16;/h3-7,9,13,23H,8,10-12H2,1-2H3,(H3,19,21,22);1H.

What are the key properties of 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?

2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 503.41 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111043857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).