2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide

C16H27N3S2 — CID 109485302

IUPAC2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCC(C)(C)c2cccs2)CCS1
InChIInChI=1S/C16H27N3S2/c1-5-13-11-19(8-10-20-13)15(17-4)18-12-16(2,3)14-7-6-9-21-14/h6-7,9,13H,5,8,10-12H2,1-4H3,(H,17,18)
InChIKeyXRHAPLIAFHZEQE-UHFFFAOYSA-N
MW325.55 g/mol
LogP3.43
Rot. Bonds4

About 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide

2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide (PubChem CID 109485302) has the molecular formula C16H27N3S2 and a molecular weight of 325.55 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide
PubChem CID109485302
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC Name2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCC(C)(C)c2cccs2)CCS1
InChIInChI=1S/C16H27N3S2/c1-5-13-11-19(8-10-20-13)15(17-4)18-12-16(2,3)14-7-6-9-21-14/h6-7,9,13H,5,8,10-12H2,1-4H3,(H,17,18)
InChIKeyXRHAPLIAFHZEQE-UHFFFAOYSA-N
XLogP3.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 53.43
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

2-ethyl-N'-methyl-N-(2-methyl-2-methylsulfonylpropyl)thiomorpholine-4-carboximidamide
CID 109485352
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
2-ethyl-N'-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109484640
2-ethyl-N'-methyl-N-(thiophen-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486137
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
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485905
2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109485640
N-[2-(benzenesulfonyl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109486236
2-ethyl-N'-methyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487155
tert-butyl N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109486935

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide (CID 109485302) is 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide is CCC1CN(/C(=N/C)NCC(C)(C)c2cccs2)CCS1.
What is the InChIKey of 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide?
The InChIKey is XRHAPLIAFHZEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-5-13-11-19(8-10-20-13)15(17-4)18-12-16(2,3)14-7-6-9-21-14/h6-7,9,13H,5,8,10-12H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide?
2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide has a molecular weight of 325.55 g/mol, XLogP of 3.43, 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-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).