1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine

C24H39N7O4S — CID 72735245

IUPAC1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine
SMILESN#CN/C(=N\CCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
InChIInChI=1S/C24H39N7O4S/c25-21-28-24(29-22-9-12-26-13-10-22)27-11-5-2-6-20-36(32,33)31(23-7-3-1-4-8-23)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)
InChIKeyQDHMEKXCLBNVOS-UHFFFAOYSA-N
MW521.69 g/mol
LogP2.32
Rot. Bonds13

About 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine

1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine (PubChem CID 72735245) has the molecular formula C24H39N7O4S and a molecular weight of 521.69 g/mol. Its IUPAC name is 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine.

Molecular Properties

Compound Name1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine
PubChem CID72735245
Molecular FormulaC24H39N7O4S
Molecular Weight521.69 g/mol
Exact Mass521.28
IUPAC Name1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine
SMILESN#CN/C(=N\CCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
InChIInChI=1S/C24H39N7O4S/c25-21-28-24(29-22-9-12-26-13-10-22)27-11-5-2-6-20-36(32,33)31(23-7-3-1-4-8-23)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)
InChIKeyQDHMEKXCLBNVOS-UHFFFAOYSA-N
XLogP2.32
TPSA132.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.69
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine 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-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine?
The IUPAC name of 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine (CID 72735245) is 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine.
What is the SMILES notation for 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine?
The canonical SMILES for 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine is N#CN/C(=N\CCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1.
What is the InChIKey of 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine?
The InChIKey is QDHMEKXCLBNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N7O4S/c25-21-28-24(29-22-9-12-26-13-10-22)27-11-5-2-6-20-36(32,33)31(23-7-3-1-4-8-23)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-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine?
1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine has a molecular weight of 521.69 g/mol, XLogP of 2.32, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[5-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine is sourced from PubChem (CID 72735245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).