N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide

C18H36N4OS — CID 109487308

IUPACN,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CC1CCN(CCOC)CC1)N1CCSC(CC)C1
InChIInChI=1S/C18H36N4OS/c1-4-17-15-22(11-13-24-17)18(19-5-2)20-14-16-6-8-21(9-7-16)10-12-23-3/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyFXYAAVJTGZFZTM-UHFFFAOYSA-N
MW356.58 g/mol
LogP2.14
Rot. Bonds7

About N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 109487308) has the molecular formula C18H36N4OS and a molecular weight of 356.58 g/mol. Its IUPAC name is N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide
PubChem CID109487308
Molecular FormulaC18H36N4OS
Molecular Weight356.58 g/mol
Exact Mass356.26
IUPAC NameN,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CC1CCN(CCOC)CC1)N1CCSC(CC)C1
InChIInChI=1S/C18H36N4OS/c1-4-17-15-22(11-13-24-17)18(19-5-2)20-14-16-6-8-21(9-7-16)10-12-23-3/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyFXYAAVJTGZFZTM-UHFFFAOYSA-N
XLogP2.14
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 52.14
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

2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109484922
N,2-diethyl-N'-[(1-methylsulfonylpiperidin-4-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485383
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
N,2-diethyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485896
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
N-ethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 111546822
N,2-diethyl-N'-[[4-(2-methoxyethoxy)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109487128
2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
CID 109486222
N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide
CID 109484910
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-ylguanidine
CID 111789048

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide (CID 109487308) is N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide is CCN/C(=N\CC1CCN(CCOC)CC1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is FXYAAVJTGZFZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4OS/c1-4-17-15-22(11-13-24-17)18(19-5-2)20-14-16-6-8-21(9-7-16)10-12-23-3/h16-17H,4-15H2,1-3H3,(H,19,20).
What are the key properties of N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 356.58 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109487308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).