N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

C18H23IN4O2S — CID 110984645

IUPACN'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccc(S(=O)(=O)NC)cc1)N1CCc2ccccc21.I
InChIInChI=1S/C18H22N4O2S.HI/c1-19-18(22-12-11-15-5-3-4-6-17(15)22)21-13-14-7-9-16(10-8-14)25(23,24)20-2;/h3-10,20H,11-13H2,1-2H3,(H,19,21);1H
InChIKeyUJIOLVYHBDQRND-UHFFFAOYSA-N
MW486.38 g/mol
LogP2.35
Rot. Bonds4

About N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984645) has the molecular formula C18H23IN4O2S and a molecular weight of 486.38 g/mol. Its IUPAC name is N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984645
Molecular FormulaC18H23IN4O2S
Molecular Weight486.38 g/mol
Exact Mass486.06
IUPAC NameN'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccc(S(=O)(=O)NC)cc1)N1CCc2ccccc21.I
InChIInChI=1S/C18H22N4O2S.HI/c1-19-18(22-12-11-15-5-3-4-6-17(15)22)21-13-14-7-9-16(10-8-14)25(23,24)20-2;/h3-10,20H,11-13H2,1-2H3,(H,19,21);1H
InChIKeyUJIOLVYHBDQRND-UHFFFAOYSA-N
XLogP2.35
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 52.35
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116385
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961646
N'-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3-dihydroindole-1-carboximidamide
CID 110983518
4-benzyl-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960184
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984418
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722898
N-[3-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 110984827
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984645) is N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccc(S(=O)(=O)NC)cc1)N1CCc2ccccc21.I.
What is the InChIKey of N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is UJIOLVYHBDQRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S.HI/c1-19-18(22-12-11-15-5-3-4-6-17(15)22)21-13-14-7-9-16(10-8-14)25(23,24)20-2;/h3-10,20H,11-13H2,1-2H3,(H,19,21);1H.
What are the key properties of N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 486.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).