2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C15H27IN4O3S — CID 111811705

IUPAC2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOCCNS(=O)(=O)c1cccc(CN=C(N(C)C)N(C)C)c1.I
InChIInChI=1S/C15H26N4O3S.HI/c1-18(2)15(19(3)4)16-12-13-7-6-8-14(11-13)23(20,21)17-9-10-22-5;/h6-8,11,17H,9-10,12H2,1-5H3;1H
InChIKeyMMYWWBIZCUJPPE-UHFFFAOYSA-N
MW470.38 g/mol
LogP1.21
Rot. Bonds7

About 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111811705) has the molecular formula C15H27IN4O3S and a molecular weight of 470.38 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111811705
Molecular FormulaC15H27IN4O3S
Molecular Weight470.38 g/mol
Exact Mass470.08
IUPAC Name2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOCCNS(=O)(=O)c1cccc(CN=C(N(C)C)N(C)C)c1.I
InChIInChI=1S/C15H26N4O3S.HI/c1-18(2)15(19(3)4)16-12-13-7-6-8-14(11-13)23(20,21)17-9-10-22-5;/h6-8,11,17H,9-10,12H2,1-5H3;1H
InChIKeyMMYWWBIZCUJPPE-UHFFFAOYSA-N
XLogP1.21
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-(4-ethylphenyl)-2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111811681
1-cyclohexyl-2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111811713
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111811710
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine
CID 111829528
1-ethyl-2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474636
N'-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111811655
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 111427144
N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 46446299
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111811705) is 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is COCCNS(=O)(=O)c1cccc(CN=C(N(C)C)N(C)C)c1.I.
What is the InChIKey of 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is MMYWWBIZCUJPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S.HI/c1-18(2)15(19(3)4)16-12-13-7-6-8-14(11-13)23(20,21)17-9-10-22-5;/h6-8,11,17H,9-10,12H2,1-5H3;1H.
What are the key properties of 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 470.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111811705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).