1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide

C17H27IN4O2S — CID 111072198

IUPAC1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CCCCC1
InChIInChI=1S/C17H26N4O2S.HI/c18-17(20-14-4-2-1-3-5-14)19-12-13-6-10-16(11-7-13)24(22,23)21-15-8-9-15;/h6-7,10-11,14-15,21H,1-5,8-9,12H2,(H3,18,19,20);1H
InChIKeyOMJBVELONACYHQ-UHFFFAOYSA-N
MW478.40 g/mol
LogP2.48
Rot. Bonds6

About 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide

1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111072198) has the molecular formula C17H27IN4O2S and a molecular weight of 478.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
PubChem CID111072198
Molecular FormulaC17H27IN4O2S
Molecular Weight478.40 g/mol
Exact Mass478.09
IUPAC Name1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CCCCC1
InChIInChI=1S/C17H26N4O2S.HI/c18-17(20-14-4-2-1-3-5-14)19-12-13-6-10-16(11-7-13)24(22,23)21-15-8-9-15;/h6-7,10-11,14-15,21H,1-5,8-9,12H2,(H3,18,19,20);1H
InChIKeyOMJBVELONACYHQ-UHFFFAOYSA-N
XLogP2.48
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 52.48
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
CID 111071863
1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine
CID 119164154
1-cyclopropyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 62364011
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111072244
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 75511970
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111072240
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide (CID 111072198) is 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is OMJBVELONACYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S.HI/c18-17(20-14-4-2-1-3-5-14)19-12-13-6-10-16(11-7-13)24(22,23)21-15-8-9-15;/h6-7,10-11,14-15,21H,1-5,8-9,12H2,(H3,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 478.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111072198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).