2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide

C12H25N3OS — CID 109486222

IUPAC2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCCCOC)CCS1
InChIInChI=1S/C12H25N3OS/c1-4-11-10-15(7-9-17-11)12(13-2)14-6-5-8-16-3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyWECVIGVOOJGTMJ-UHFFFAOYSA-N
MW259.42 g/mol
LogP1.43
Rot. Bonds5

About 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide

2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide (PubChem CID 109486222) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
PubChem CID109486222
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCCCOC)CCS1
InChIInChI=1S/C12H25N3OS/c1-4-11-10-15(7-9-17-11)12(13-2)14-6-5-8-16-3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyWECVIGVOOJGTMJ-UHFFFAOYSA-N
XLogP1.43
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485939
2-ethyl-N-[3-[2-methoxyethyl(methyl)amino]propyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109487184
N-(3-cyclopentyloxypropyl)-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484677
2-ethyl-N-(3-fluoropropyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487037
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109484922
ethyl 7-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]heptanoate
CID 109486926
2-ethyl-N'-methyl-N-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109485883
2-ethyl-N'-methyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109484636
2-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109486328
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 109484756
2-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486327

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide (CID 109486222) is 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide is CCC1CN(/C(=N/C)NCCCOC)CCS1.
What is the InChIKey of 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide?
The InChIKey is WECVIGVOOJGTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-4-11-10-15(7-9-17-11)12(13-2)14-6-5-8-16-3/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide?
2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide has a molecular weight of 259.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).