2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide

C18H29N3O2S — CID 109485750

IUPAC2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCCOCc2cccc(OC)c2)CCS1
InChIInChI=1S/C18H29N3O2S/c1-4-17-13-21(9-11-24-17)18(19-2)20-8-10-23-14-15-6-5-7-16(12-15)22-3/h5-7,12,17H,4,8-11,13-14H2,1-3H3,(H,19,20)
InChIKeyNXDBSCHCDWZJNW-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.61
Rot. Bonds7

About 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide

2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide (PubChem CID 109485750) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide
PubChem CID109485750
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCCOCc2cccc(OC)c2)CCS1
InChIInChI=1S/C18H29N3O2S/c1-4-17-13-21(9-11-24-17)18(19-2)20-8-10-23-14-15-6-5-7-16(12-15)22-3/h5-7,12,17H,4,8-11,13-14H2,1-3H3,(H,19,20)
InChIKeyNXDBSCHCDWZJNW-UHFFFAOYSA-N
XLogP2.61
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-methyl-N-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109485883
2-ethyl-N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109484890
2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 109487314
N-[[4-(ethoxymethyl)phenyl]methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109485784
2-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485937
2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
CID 109486222
2-ethyl-N'-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486303
3-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 109486377
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109484898
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109485360
N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526545

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide (CID 109485750) is 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide is CCC1CN(/C(=N/C)NCCOCc2cccc(OC)c2)CCS1.
What is the InChIKey of 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide?
The InChIKey is NXDBSCHCDWZJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-4-17-13-21(9-11-24-17)18(19-2)20-8-10-23-14-15-6-5-7-16(12-15)22-3/h5-7,12,17H,4,8-11,13-14H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide?
2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide has a molecular weight of 351.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).