1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine

C17H39N5O2S — CID 111764143

IUPAC1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCN(C(C)C)C(C)C)NCCS(=O)(=O)N(CC)CC
InChIInChI=1S/C17H39N5O2S/c1-8-18-17(19-11-13-22(15(4)5)16(6)7)20-12-14-25(23,24)21(9-2)10-3/h15-16H,8-14H2,1-7H3,(H2,18,19,20)
InChIKeyLXMGNMHETHAJOS-UHFFFAOYSA-N
MW377.60 g/mol
LogP1.33
Rot. Bonds12

About 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine

1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine (PubChem CID 111764143) has the molecular formula C17H39N5O2S and a molecular weight of 377.60 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
PubChem CID111764143
Molecular FormulaC17H39N5O2S
Molecular Weight377.60 g/mol
Exact Mass377.28
IUPAC Name1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCN(C(C)C)C(C)C)NCCS(=O)(=O)N(CC)CC
InChIInChI=1S/C17H39N5O2S/c1-8-18-17(19-11-13-22(15(4)5)16(6)7)20-12-14-25(23,24)21(9-2)10-3/h15-16H,8-14H2,1-7H3,(H2,18,19,20)
InChIKeyLXMGNMHETHAJOS-UHFFFAOYSA-N
XLogP1.33
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 51.33
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-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-propylguanidine
CID 111763409
1-(2-tert-butylsulfonylethyl)-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111573658
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111768532
methyl 3-[[N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111248544
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[(E)-pent-3-enyl]guanidine
CID 111587845
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111225396
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111247659
1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 104882910
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111248898
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111247386
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111987659
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111499432

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine?
The IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine (CID 111764143) is 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine?
The canonical SMILES for 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine is CCN/C(=N\CCN(C(C)C)C(C)C)NCCS(=O)(=O)N(CC)CC.
What is the InChIKey of 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine?
The InChIKey is LXMGNMHETHAJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N5O2S/c1-8-18-17(19-11-13-22(15(4)5)16(6)7)20-12-14-25(23,24)21(9-2)10-3/h15-16H,8-14H2,1-7H3,(H2,18,19,20).
What are the key properties of 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine?
1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine has a molecular weight of 377.60 g/mol, XLogP of 1.33, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine is sourced from PubChem (CID 111764143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).