1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine

C14H24N4O2S — CID 119120935

IUPAC1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CCS(=O)(=O)NC(C)C)c1
InChIInChI=1S/C14H24N4O2S/c1-10(2)18-21(19,20)6-5-16-14(15)17-13-8-11(3)7-12(4)9-13/h7-10,18H,5-6H2,1-4H3,(H3,15,16,17)
InChIKeyGZEFTEJGQCSAEE-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.36
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine

1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine (PubChem CID 119120935) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
PubChem CID119120935
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CCS(=O)(=O)NC(C)C)c1
InChIInChI=1S/C14H24N4O2S/c1-10(2)18-21(19,20)6-5-16-14(15)17-13-8-11(3)7-12(4)9-13/h7-10,18H,5-6H2,1-4H3,(H3,15,16,17)
InChIKeyGZEFTEJGQCSAEE-UHFFFAOYSA-N
XLogP1.36
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3,5-dimethylphenyl)-2-(3-methylsulfonylpropyl)guanidine
CID 111067162
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119120952
1-(3,5-dimethylphenyl)-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
CID 111026274
1-(3,5-dimethylphenyl)-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111093467
1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046601
1-(3,5-dimethylphenyl)-2-[3-[di(propan-2-yl)amino]propyl]guanidine
CID 111821765
1-(3,5-dimethylphenyl)-2-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
CID 111093466
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117585
2-[3-(benzenesulfonyl)propyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111085304
1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111046592
methyl 5-[[amino-(3,5-dimethylanilino)methylidene]amino]pentanoate
CID 111086101
1-cyclohexyl-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120931

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine (CID 119120935) is 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine is Cc1cc(C)cc(N/C(N)=N/CCS(=O)(=O)NC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine?
The InChIKey is GZEFTEJGQCSAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-10(2)18-21(19,20)6-5-16-14(15)17-13-8-11(3)7-12(4)9-13/h7-10,18H,5-6H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine?
1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine has a molecular weight of 312.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine is sourced from PubChem (CID 119120935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).