1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine

C18H41N5O2S — CID 111759731

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)CCCN(CC)CC
InChIInChI=1S/C18H41N5O2S/c1-7-19-18(20-14-16-26(24,25)23(10-4)11-5)21-17(6)13-12-15-22(8-2)9-3/h17H,7-16H2,1-6H3,(H2,19,20,21)
InChIKeyAERRWZANXVIJQC-UHFFFAOYSA-N
MW391.63 g/mol
LogP1.72
Rot. Bonds14

About 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine

1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine (PubChem CID 111759731) has the molecular formula C18H41N5O2S and a molecular weight of 391.63 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
PubChem CID111759731
Molecular FormulaC18H41N5O2S
Molecular Weight391.63 g/mol
Exact Mass391.30
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)CCCN(CC)CC
InChIInChI=1S/C18H41N5O2S/c1-7-19-18(20-14-16-26(24,25)23(10-4)11-5)21-17(6)13-12-15-22(8-2)9-3/h17H,7-16H2,1-6H3,(H2,19,20,21)
InChIKeyAERRWZANXVIJQC-UHFFFAOYSA-N
XLogP1.72
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111759730
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111000043
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
CID 111761605
1-[5-(diethylamino)pentan-2-yl]-2-[7-(dimethylamino)heptyl]-3-ethylguanidine;hydroiodide
CID 110998178
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 111791099
methyl 7-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]heptanoate;hydroiodide
CID 110999846
2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110999539
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 110998255
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110998074
N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
CID 110998526
N-benzyl-3-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]propanamide
CID 110998809
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 110999469

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine (CID 111759731) is 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine is CCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)CCCN(CC)CC.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The InChIKey is AERRWZANXVIJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N5O2S/c1-7-19-18(20-14-16-26(24,25)23(10-4)11-5)21-17(6)13-12-15-22(8-2)9-3/h17H,7-16H2,1-6H3,(H2,19,20,21).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine has a molecular weight of 391.63 g/mol, XLogP of 1.72, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 111759731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).