2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide

C19H31N3O3S — CID 109487314

IUPAC2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N\C)NCCc2c(OC)cc(OC)cc2OC)CCS1
InChIInChI=1S/C19H31N3O3S/c1-6-15-13-22(9-10-26-15)19(20-2)21-8-7-16-17(24-4)11-14(23-3)12-18(16)25-5/h11-12,15H,6-10,13H2,1-5H3,(H,20,21)
InChIKeyRMAZRCMROJXJLK-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.66
Rot. Bonds7

About 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide

2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 109487314) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID109487314
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N\C)NCCc2c(OC)cc(OC)cc2OC)CCS1
InChIInChI=1S/C19H31N3O3S/c1-6-15-13-22(9-10-26-15)19(20-2)21-8-7-16-17(24-4)11-14(23-3)12-18(16)25-5/h11-12,15H,6-10,13H2,1-5H3,(H,20,21)
InChIKeyRMAZRCMROJXJLK-UHFFFAOYSA-N
XLogP2.66
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2,4,6-trimethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486303
2-ethyl-N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109484890
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486963
2-ethyl-N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109485750
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
N-[2-(2,5-difluorophenyl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486079
2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
CID 109486222
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109485522
2-ethyl-N'-methyl-N-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109485883
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485905
N-[2-(5-bromofuran-2-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109485362
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109487206

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide (CID 109487314) is 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide is CCC1CN(/C(=N\C)NCCc2c(OC)cc(OC)cc2OC)CCS1.
What is the InChIKey of 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is RMAZRCMROJXJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-6-15-13-22(9-10-26-15)19(20-2)21-8-7-16-17(24-4)11-14(23-3)12-18(16)25-5/h11-12,15H,6-10,13H2,1-5H3,(H,20,21).
What are the key properties of 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide?
2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 381.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109487314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).