1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine

C10H16N4O2S — CID 111046601

IUPAC1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCS(N)(=O)=O)cc1
InChIInChI=1S/C10H16N4O2S/c1-8-2-4-9(5-3-8)14-10(11)13-6-7-17(12,15)16/h2-5H,6-7H2,1H3,(H3,11,13,14)(H2,12,15,16)
InChIKeyCKOVNXLAGDKUOK-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.01
Rot. Bonds4

About 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine

1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine (PubChem CID 111046601) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
PubChem CID111046601
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCS(N)(=O)=O)cc1
InChIInChI=1S/C10H16N4O2S/c1-8-2-4-9(5-3-8)14-10(11)13-6-7-17(12,15)16/h2-5H,6-7H2,1H3,(H3,11,13,14)(H2,12,15,16)
InChIKeyCKOVNXLAGDKUOK-UHFFFAOYSA-N
XLogP0.01
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.01
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-phenyl-2-(2-sulfamoylethyl)guanidine
CID 62364508
1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110912467
1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111046592
1-(4-methylphenyl)-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine
CID 111819796
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
2-(3-benzylsulfonylpropyl)-1-(4-methylphenyl)guanidine
CID 111065202
3-[[amino-(4-methylanilino)methylidene]amino]-N,N-dimethylpropanamide
CID 111068206
1-(3,5-dimethylphenyl)-2-[2-(propan-2-ylsulfamoyl)ethyl]guanidine
CID 119120935
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111066380
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
2-(2-ethylsulfonylethyl)-1-(4-methoxyphenyl)guanidine
CID 111100364
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine?
The IUPAC name of 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine (CID 111046601) is 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine?
The canonical SMILES for 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine is Cc1ccc(N/C(N)=N/CCS(N)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine?
The InChIKey is CKOVNXLAGDKUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-2-4-9(5-3-8)14-10(11)13-6-7-17(12,15)16/h2-5H,6-7H2,1H3,(H3,11,13,14)(H2,12,15,16).
What are the key properties of 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine?
1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine has a molecular weight of 256.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine is sourced from PubChem (CID 111046601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).