N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C15H25IN4O2S — CID 110984215

IUPACN-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCS(=O)(=O)NCCCN/C(=N\C)N1CCc2ccccc21.I
InChIInChI=1S/C15H24N4O2S.HI/c1-3-22(20,21)18-11-6-10-17-15(16-2)19-12-9-13-7-4-5-8-14(13)19;/h4-5,7-8,18H,3,6,9-12H2,1-2H3,(H,16,17);1H
InChIKeyUHHWMVPPCJNANH-UHFFFAOYSA-N
MW452.36 g/mol
LogP1.57
Rot. Bonds6

About N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984215) has the molecular formula C15H25IN4O2S and a molecular weight of 452.36 g/mol. Its IUPAC name is N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984215
Molecular FormulaC15H25IN4O2S
Molecular Weight452.36 g/mol
Exact Mass452.07
IUPAC NameN-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCS(=O)(=O)NCCCN/C(=N\C)N1CCc2ccccc21.I
InChIInChI=1S/C15H24N4O2S.HI/c1-3-22(20,21)18-11-6-10-17-15(16-2)19-12-9-13-7-4-5-8-14(13)19;/h4-5,7-8,18H,3,6,9-12H2,1-2H3,(H,16,17);1H
InChIKeyUHHWMVPPCJNANH-UHFFFAOYSA-N
XLogP1.57
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N-[3-(ethylsulfonylamino)propyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186409
methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110983754
N'-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3-dihydroindole-1-carboximidamide
CID 110983518
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983775
N-ethyl-N'-[3-(methanesulfonamido)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983998
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984951
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-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984215) is N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCS(=O)(=O)NCCCN/C(=N\C)N1CCc2ccccc21.I.
What is the InChIKey of N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is UHHWMVPPCJNANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.HI/c1-3-22(20,21)18-11-6-10-17-15(16-2)19-12-9-13-7-4-5-8-14(13)19;/h4-5,7-8,18H,3,6,9-12H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 452.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).