2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide

C15H25IN4O2S — CID 120973222

IUPAC2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCS(=O)(=O)NC1CCCCC1C/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C15H24N4O2S.HI/c1-22(20,21)19-14-10-6-5-7-12(14)11-17-15(16)18-13-8-3-2-4-9-13;/h2-4,8-9,12,14,19H,5-7,10-11H2,1H3,(H3,16,17,18);1H
InChIKeyYXCUSABNHJFWJX-UHFFFAOYSA-N
MW452.36 g/mol
LogP2.14
Rot. Bonds5

About 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide

2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide (PubChem CID 120973222) has the molecular formula C15H25IN4O2S and a molecular weight of 452.36 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide
PubChem CID120973222
Molecular FormulaC15H25IN4O2S
Molecular Weight452.36 g/mol
Exact Mass452.07
IUPAC Name2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCS(=O)(=O)NC1CCCCC1C/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C15H24N4O2S.HI/c1-22(20,21)19-14-10-6-5-7-12(14)11-17-15(16)18-13-8-3-2-4-9-13;/h2-4,8-9,12,14,19H,5-7,10-11H2,1H3,(H3,16,17,18);1H
InChIKeyYXCUSABNHJFWJX-UHFFFAOYSA-N
XLogP2.14
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 52.14
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'}

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Related Compounds

2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
CID 110912555
1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide
CID 119161149
2-[(2-methylcyclopropyl)methyl]-1-phenylguanidine
CID 115600996
1-phenyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800092
2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
2-[(1-methylsulfonylcyclopentyl)methyl]-1-phenylguanidine;hydroiodide
CID 120973744
N'-[[2-(methanesulfonamido)cyclohexyl]methyl]azepane-1-carboximidamide
CID 120973217
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 120606169
2-(3-methylsulfonylpropyl)-1-phenylguanidine;hydroiodide
CID 110912521
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110912442
2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine
CID 63859317
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine
CID 120606170

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide (CID 120973222) is 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide is CS(=O)(=O)NC1CCCCC1C/N=C(\N)Nc1ccccc1.I.
What is the InChIKey of 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is YXCUSABNHJFWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.HI/c1-22(20,21)19-14-10-6-5-7-12(14)11-17-15(16)18-13-8-3-2-4-9-13;/h2-4,8-9,12,14,19H,5-7,10-11H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide?
2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 452.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 120973222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).