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

C23H37N7O4S — CID 72735420

IUPAC1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine
SMILESN#CN/C(=N\CCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1)Nc1ccncc1
InChIInChI=1S/C23H37N7O4S/c24-20-27-23(28-21-8-11-25-12-9-21)26-10-4-1-5-19-35(31,32)30(22-6-2-3-7-22)34-18-15-29-13-16-33-17-14-29/h8-9,11-12,22H,1-7,10,13-19H2,(H2,25,26,27,28)
InChIKeyDTQMIWMMRCYZOU-UHFFFAOYSA-N
MW507.66 g/mol
LogP1.93
Rot. Bonds13

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

1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine (PubChem CID 72735420) has the molecular formula C23H37N7O4S and a molecular weight of 507.66 g/mol. Its IUPAC name is 1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine.

Molecular Properties

Compound Name1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine
PubChem CID72735420
Molecular FormulaC23H37N7O4S
Molecular Weight507.66 g/mol
Exact Mass507.26
IUPAC Name1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine
SMILESN#CN/C(=N\CCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1)Nc1ccncc1
InChIInChI=1S/C23H37N7O4S/c24-20-27-23(28-21-8-11-25-12-9-21)26-10-4-1-5-19-35(31,32)30(22-6-2-3-7-22)34-18-15-29-13-16-33-17-14-29/h8-9,11-12,22H,1-7,10,13-19H2,(H2,25,26,27,28)
InChIKeyDTQMIWMMRCYZOU-UHFFFAOYSA-N
XLogP1.93
TPSA132.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 51.93
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine?
The IUPAC name of 1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine (CID 72735420) is 1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine.
What is the SMILES notation for 1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine?
The canonical SMILES for 1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine is N#CN/C(=N\CCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1)Nc1ccncc1.
What is the InChIKey of 1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine?
The InChIKey is DTQMIWMMRCYZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N7O4S/c24-20-27-23(28-21-8-11-25-12-9-21)26-10-4-1-5-19-35(31,32)30(22-6-2-3-7-22)34-18-15-29-13-16-33-17-14-29/h8-9,11-12,22H,1-7,10,13-19H2,(H2,25,26,27,28).
What are the key properties of 1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine?
1-cyano-2-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine has a molecular weight of 507.66 g/mol, XLogP of 1.93, 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-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylguanidine is sourced from PubChem (CID 72735420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).