1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine

C15H26N4O2S — CID 111134273

IUPAC1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine
SMILESCCN/C(=N\CCNS(=O)(=O)CC)NCCc1ccccc1
InChIInChI=1S/C15H26N4O2S/c1-3-16-15(18-12-13-19-22(20,21)4-2)17-11-10-14-8-6-5-7-9-14/h5-9,19H,3-4,10-13H2,1-2H3,(H2,16,17,18)
InChIKeyJJBAVRXMLZMBLZ-UHFFFAOYSA-N
MW326.47 g/mol
LogP0.72
Rot. Bonds9

About 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine

1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine (PubChem CID 111134273) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine
PubChem CID111134273
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine
SMILESCCN/C(=N\CCNS(=O)(=O)CC)NCCc1ccccc1
InChIInChI=1S/C15H26N4O2S/c1-3-16-15(18-12-13-19-22(20,21)4-2)17-11-10-14-8-6-5-7-9-14/h5-9,19H,3-4,10-13H2,1-2H3,(H2,16,17,18)
InChIKeyJJBAVRXMLZMBLZ-UHFFFAOYSA-N
XLogP0.72
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295621
2-[2-(ethylsulfonylamino)ethyl]-1-(2-phenylethyl)guanidine
CID 111062557
2-[2-(benzenesulfonamido)ethyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111169635
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354201
2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111760825
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111649028
1-ethyl-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134532
1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199208
2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
CID 111604893
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[3-(dimethylamino)propyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine (CID 111134273) is 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine is CCN/C(=N\CCNS(=O)(=O)CC)NCCc1ccccc1.
What is the InChIKey of 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine?
The InChIKey is JJBAVRXMLZMBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-3-16-15(18-12-13-19-22(20,21)4-2)17-11-10-14-8-6-5-7-9-14/h5-9,19H,3-4,10-13H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine?
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine has a molecular weight of 326.47 g/mol, XLogP of 0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111134273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).