2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide

C17H34N4OS — CID 109484922

IUPAC2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCC2CCN(CCOC)CC2)CCS1
InChIInChI=1S/C17H34N4OS/c1-4-16-14-21(10-12-23-16)17(18-2)19-13-15-5-7-20(8-6-15)9-11-22-3/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKeyJTBAKMJQEHHUJI-UHFFFAOYSA-N
MW342.55 g/mol
LogP1.75
Rot. Bonds6

About 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide

2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide (PubChem CID 109484922) has the molecular formula C17H34N4OS and a molecular weight of 342.55 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide
PubChem CID109484922
Molecular FormulaC17H34N4OS
Molecular Weight342.55 g/mol
Exact Mass342.25
IUPAC Name2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCC2CCN(CCOC)CC2)CCS1
InChIInChI=1S/C17H34N4OS/c1-4-16-14-21(10-12-23-16)17(18-2)19-13-15-5-7-20(8-6-15)9-11-22-3/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKeyJTBAKMJQEHHUJI-UHFFFAOYSA-N
XLogP1.75
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 51.75
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'}

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Related Compounds

N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide
CID 109487308
2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
CID 109486222
2-ethyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485939
2-ethyl-N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109486970
2-ethyl-N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486184
2-ethyl-N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486969
2-ethyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109487184
2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485894
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
2-ethyl-N'-methyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109484636
methyl 3-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-2-methylpropanoate
CID 109484742
2-ethyl-N-[(4-methoxyoxan-4-yl)methyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109487048

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide (CID 109484922) is 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide is CCC1CN(/C(=N/C)NCC2CCN(CCOC)CC2)CCS1.
What is the InChIKey of 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide?
The InChIKey is JTBAKMJQEHHUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4OS/c1-4-16-14-21(10-12-23-16)17(18-2)19-13-15-5-7-20(8-6-15)9-11-22-3/h15-16H,4-14H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide?
2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide has a molecular weight of 342.55 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109484922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).