1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine

C22H32N4O2S — CID 109389328

IUPAC1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
SMILESCCS(=O)(=O)NCCCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H32N4O2S/c1-3-29(27,28)26-16-10-15-24-22(23-2)25-18-21(20-13-8-5-9-14-20)17-19-11-6-4-7-12-19/h4-9,11-14,21,26H,3,10,15-18H2,1-2H3,(H2,23,24,25)
InChIKeyJPERERMHBWVPNJ-UHFFFAOYSA-N
MW416.59 g/mol
LogP2.51
Rot. Bonds11

About 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine

1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine (PubChem CID 109389328) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
PubChem CID109389328
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
SMILESCCS(=O)(=O)NCCCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H32N4O2S/c1-3-29(27,28)26-16-10-15-24-22(23-2)25-18-21(20-13-8-5-9-14-20)17-19-11-6-4-7-12-19/h4-9,11-14,21,26H,3,10,15-18H2,1-2H3,(H2,23,24,25)
InChIKeyJPERERMHBWVPNJ-UHFFFAOYSA-N
XLogP2.51
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 52.51
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-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 109389517
1-(2,3-diphenylpropyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 109389332
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111660168
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111948049
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2,3-diphenylpropyl)-2-methylguanidine
CID 109389801
1-[3-[benzyl(methyl)amino]butyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
CID 111718949
1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
CID 109389814
N-[2-[[N-(2,3-diphenylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109389519
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702765
1-(2-ethylsulfonylethyl)-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109407705
1-(2,3-diphenylpropyl)-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 109389699
1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109389216

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine?
The IUPAC name of 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine (CID 109389328) is 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine?
The canonical SMILES for 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine is CCS(=O)(=O)NCCCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine?
The InChIKey is JPERERMHBWVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-3-29(27,28)26-16-10-15-24-22(23-2)25-18-21(20-13-8-5-9-14-20)17-19-11-6-4-7-12-19/h4-9,11-14,21,26H,3,10,15-18H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine?
1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine has a molecular weight of 416.59 g/mol, XLogP of 2.51, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine is sourced from PubChem (CID 109389328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).