N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide

C18H26N4S — CID 109486190

IUPACN,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCSC(CC)C1
InChIInChI=1S/C18H26N4S/c1-3-16-13-22(9-10-23-16)18(19-4-2)20-12-15-11-14-7-5-6-8-17(14)21-15/h5-8,11,16,21H,3-4,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyPEUJJLFFUPPKDG-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.46
Rot. Bonds4

About N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide

N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide (PubChem CID 109486190) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide
PubChem CID109486190
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC NameN,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCSC(CC)C1
InChIInChI=1S/C18H26N4S/c1-3-16-13-22(9-10-23-16)18(19-4-2)20-12-15-11-14-7-5-6-8-17(14)21-15/h5-8,11,16,21H,3-4,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyPEUJJLFFUPPKDG-UHFFFAOYSA-N
XLogP3.46
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-ethyl-N-(1H-indol-2-ylmethyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486479
N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955580
N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide
CID 111145802
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484776
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486056
N,2-diethyl-N'-(2-hydroxy-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 109485916
(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 115661623
N-ethyl-N'-(1H-indol-2-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378824
N,2-diethyl-N'-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485829
N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485344

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide (CID 109486190) is N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide is CCN/C(=N\Cc1cc2ccccc2[nH]1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide?
The InChIKey is PEUJJLFFUPPKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-3-16-13-22(9-10-23-16)18(19-4-2)20-12-15-11-14-7-5-6-8-17(14)21-15/h5-8,11,16,21H,3-4,9-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide has a molecular weight of 330.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-(1H-indol-2-ylmethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).