1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine

C24H39N7O4S — CID 72735246

About 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine

1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine (PubChem CID 72735246) has the molecular formula C24H39N7O4S and a molecular weight of 521.69 g/mol. Its IUPAC name is 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine.

Molecular Properties

• Compound Name: 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
• PubChem CID: 72735246
• Molecular Formula: C24H39N7O4S
• Molecular Weight: 521.69 g/mol
• Exact Mass: 521.28
• IUPAC Name: 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
• SMILES: N#CN/C(=N\CCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1)Nc1ccncc1
• InChI: InChI=1S/C24H39N7O4S/c25-21-28-24(29-22-9-12-26-13-10-22)27-11-5-1-2-6-20-36(32,33)31(23-7-3-4-8-23)35-19-16-30-14-17-34-18-15-30/h9-10,12-13,23H,1-8,11,14-20H2,(H2,26,27,28,29)
• InChIKey: FUCNFPVULQQOIL-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 132.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.69
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine?

The IUPAC name of 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine (CID 72735246) is 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine.

What is the SMILES notation for 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine?

The canonical SMILES for 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine is N#CN/C(=N\CCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1)Nc1ccncc1.

What is the InChIKey of 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine?

The InChIKey is FUCNFPVULQQOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N7O4S/c25-21-28-24(29-22-9-12-26-13-10-22)27-11-5-1-2-6-20-36(32,33)31(23-7-3-4-8-23)35-19-16-30-14-17-34-18-15-30/h9-10,12-13,23H,1-8,11,14-20H2,(H2,26,27,28,29).

What are the key properties of 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine?

1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine has a molecular weight of 521.69 g/mol, XLogP of 2.32, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine is sourced from PubChem (CID 72735246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).