N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide

C15H15N3O2S — CID 51228665

IUPACN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide
SMILESN/C(=N/OCC(=O)N1CCc2ccccc21)c1ccsc1
InChIInChI=1S/C15H15N3O2S/c16-15(12-6-8-21-10-12)17-20-9-14(19)18-7-5-11-3-1-2-4-13(11)18/h1-4,6,8,10H,5,7,9H2,(H2,16,17)
InChIKeyOYXIFLFDJDJYDR-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.97
Rot. Bonds4

About N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide (PubChem CID 51228665) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide
PubChem CID51228665
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide
SMILESN/C(=N/OCC(=O)N1CCc2ccccc21)c1ccsc1
InChIInChI=1S/C15H15N3O2S/c16-15(12-6-8-21-10-12)17-20-9-14(19)18-7-5-11-3-1-2-4-13(11)18/h1-4,6,8,10H,5,7,9H2,(H2,16,17)
InChIKeyOYXIFLFDJDJYDR-UHFFFAOYSA-N
XLogP1.97
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]isoquinoline-1-carboximidamide
CID 126805364
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 7670644
N'-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide
CID 55411888
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 94282565
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2416320
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4551433
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] anthracene-9-carboxylate
CID 4044889
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide?
The IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide (CID 51228665) is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide.
What is the SMILES notation for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide?
The canonical SMILES for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide is N/C(=N/OCC(=O)N1CCc2ccccc21)c1ccsc1.
What is the InChIKey of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide?
The InChIKey is OYXIFLFDJDJYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-15(12-6-8-21-10-12)17-20-9-14(19)18-7-5-11-3-1-2-4-13(11)18/h1-4,6,8,10H,5,7,9H2,(H2,16,17).
What are the key properties of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide?
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide has a molecular weight of 301.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]thiophene-3-carboximidamide is sourced from PubChem (CID 51228665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).