1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine

C16H26N4O2S — CID 111071863

IUPAC1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
SMILESCN(C)S(=O)(=O)c1ccc(C/N=C(\N)NC2CCCCC2)cc1
InChIInChI=1S/C16H26N4O2S/c1-20(2)23(21,22)15-10-8-13(9-11-15)12-18-16(17)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H3,17,18,19)
InChIKeyANYUZIWRODDZFP-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.67
Rot. Bonds5

About 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine

1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine (PubChem CID 111071863) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
PubChem CID111071863
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
SMILESCN(C)S(=O)(=O)c1ccc(C/N=C(\N)NC2CCCCC2)cc1
InChIInChI=1S/C16H26N4O2S/c1-20(2)23(21,22)15-10-8-13(9-11-15)12-18-16(17)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H3,17,18,19)
InChIKeyANYUZIWRODDZFP-UHFFFAOYSA-N
XLogP1.67
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
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-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111072198
1-cyclopentyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 110990034
1-cyclopropyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 62364011
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine
CID 119164154
N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide
CID 17248855
4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110914653
1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine
CID 122095877
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
1-cyclobutyl-2-[(3-methyl-4-sulfamoylphenyl)methyl]guanidine
CID 122095671
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine (CID 111071863) is 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine is CN(C)S(=O)(=O)c1ccc(C/N=C(\N)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine?
The InChIKey is ANYUZIWRODDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-20(2)23(21,22)15-10-8-13(9-11-15)12-18-16(17)19-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine?
1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine has a molecular weight of 338.48 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111071863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).