N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide

C15H20N4OS — CID 111097813

IUPACN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC(=O)N1CCc2ccccc21)N1CCSCC1
InChIInChI=1S/C15H20N4OS/c16-15(18-7-9-21-10-8-18)17-11-14(20)19-6-5-12-3-1-2-4-13(12)19/h1-4H,5-11H2,(H2,16,17)
InChIKeyAOMBUBHIDOTHPR-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.94
Rot. Bonds2

About N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide (PubChem CID 111097813) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
PubChem CID111097813
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC(=O)N1CCc2ccccc21)N1CCSCC1
InChIInChI=1S/C15H20N4OS/c16-15(18-7-9-21-10-8-18)17-11-14(20)19-6-5-12-3-1-2-4-13(12)19/h1-4H,5-11H2,(H2,16,17)
InChIKeyAOMBUBHIDOTHPR-UHFFFAOYSA-N
XLogP0.94
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.94
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'-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]thiomorpholine-4-carboximidamide
CID 111810992
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121329
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111097798
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 111097765
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-methylphenyl)guanidine
CID 111097779
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide
CID 120661382
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111097758
N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
CID 111040296
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide (CID 111097813) is N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide is N/C(=N\CC(=O)N1CCc2ccccc21)N1CCSCC1.
What is the InChIKey of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide?
The InChIKey is AOMBUBHIDOTHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-15(18-7-9-21-10-8-18)17-11-14(20)19-6-5-12-3-1-2-4-13(12)19/h1-4H,5-11H2,(H2,16,17).
What are the key properties of N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide?
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide has a molecular weight of 304.42 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111097813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).