N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide

C14H21N3O2S — CID 110983994

IUPACN-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCS(C)(=O)=O)N1CCc2ccccc21
InChIInChI=1S/C14H21N3O2S/c1-3-15-14(16-9-11-20(2,18)19)17-10-8-12-6-4-5-7-13(12)17/h4-7H,3,8-11H2,1-2H3,(H,15,16)
InChIKeyKJDUAJLZDKKHFE-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.06
Rot. Bonds4

About N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide

N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983994) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
PubChem CID110983994
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CCS(C)(=O)=O)N1CCc2ccccc21
InChIInChI=1S/C14H21N3O2S/c1-3-15-14(16-9-11-20(2,18)19)17-10-8-12-6-4-5-7-13(12)17/h4-7H,3,8-11H2,1-2H3,(H,15,16)
InChIKeyKJDUAJLZDKKHFE-UHFFFAOYSA-N
XLogP1.06
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[3-(methanesulfonamido)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983998
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 110984746
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984737
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 111495414
N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984032
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide (CID 110983994) is N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\CCS(C)(=O)=O)N1CCc2ccccc21.
What is the InChIKey of N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide?
The InChIKey is KJDUAJLZDKKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-15-14(16-9-11-20(2,18)19)17-10-8-12-6-4-5-7-13(12)17/h4-7H,3,8-11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide?
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide has a molecular weight of 295.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).