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

C18H23IN4O2S — CID 119116385

IUPACN-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccc(NS(C)(=O)=O)cc1)N1CCc2ccccc21.I
InChIInChI=1S/C18H22N4O2S.HI/c1-19-18(22-12-11-15-5-3-4-6-17(15)22)20-13-14-7-9-16(10-8-14)21-25(2,23)24;/h3-10,21H,11-13H2,1-2H3,(H,19,20);1H
InChIKeyQQIATWJJCSGZBB-UHFFFAOYSA-N
MW486.38 g/mol
LogP2.81
Rot. Bonds4

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

N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 119116385) has the molecular formula C18H23IN4O2S and a molecular weight of 486.38 g/mol. Its IUPAC name is N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID119116385
Molecular FormulaC18H23IN4O2S
Molecular Weight486.38 g/mol
Exact Mass486.06
IUPAC NameN-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccc(NS(C)(=O)=O)cc1)N1CCc2ccccc21.I
InChIInChI=1S/C18H22N4O2S.HI/c1-19-18(22-12-11-15-5-3-4-6-17(15)22)20-13-14-7-9-16(10-8-14)21-25(2,23)24;/h3-10,21H,11-13H2,1-2H3,(H,19,20);1H
InChIKeyQQIATWJJCSGZBB-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984645
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984418
N-[3-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 110984827
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
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984215
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110985120
N-tert-butyl-3-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 110984885
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 119116385) is N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccc(NS(C)(=O)=O)cc1)N1CCc2ccccc21.I.
What is the InChIKey of N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is QQIATWJJCSGZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S.HI/c1-19-18(22-12-11-15-5-3-4-6-17(15)22)20-13-14-7-9-16(10-8-14)21-25(2,23)24;/h3-10,21H,11-13H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 486.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methanesulfonamido)phenyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119116385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).