2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide

C19H30N4S — CID 109485894

IUPAC2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCC2CCN(c3ccccc3)C2)CCS1
InChIInChI=1S/C19H30N4S/c1-3-18-15-23(11-12-24-18)19(20-2)21-13-16-9-10-22(14-16)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,20,21)
InChIKeyJMAMKDAKSSQGHR-UHFFFAOYSA-N
MW346.54 g/mol
LogP2.92
Rot. Bonds4

About 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide

2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 109485894) has the molecular formula C19H30N4S and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide
PubChem CID109485894
Molecular FormulaC19H30N4S
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCC2CCN(c3ccccc3)C2)CCS1
InChIInChI=1S/C19H30N4S/c1-3-18-15-23(11-12-24-18)19(20-2)21-13-16-9-10-22(14-16)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,20,21)
InChIKeyJMAMKDAKSSQGHR-UHFFFAOYSA-N
XLogP2.92
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.92
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,2-diethyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109485896
2-ethyl-N'-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485068
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109484898
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485593
N'-methyl-4-phenoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426757
4-(4-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111242727
2-ethyl-N'-methyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487155
2-ethyl-N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486184
2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109484922
2-ethyl-N'-methyl-N-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109485883
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109485455
1-benzyl-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110954016

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide (CID 109485894) is 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide is CCC1CN(/C(=N/C)NCC2CCN(c3ccccc3)C2)CCS1.
What is the InChIKey of 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is JMAMKDAKSSQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4S/c1-3-18-15-23(11-12-24-18)19(20-2)21-13-16-9-10-22(14-16)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide?
2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 346.54 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).