2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide

C16H28IN3OS — CID 110057565

IUPAC2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC/N=C(\NCCc1ccco1)N1CCSC(CC)C1.I
InChIInChI=1S/C16H27N3OS.HI/c1-3-8-17-16(18-9-7-14-6-5-11-20-14)19-10-12-21-15(4-2)13-19;/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3,(H,17,18);1H
InChIKeyBWQQHXXPKRRLCS-UHFFFAOYSA-N
MW437.39 g/mol
LogP3.62
Rot. Bonds6

About 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide

2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 110057565) has the molecular formula C16H28IN3OS and a molecular weight of 437.39 g/mol. Its IUPAC name is 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID110057565
Molecular FormulaC16H28IN3OS
Molecular Weight437.39 g/mol
Exact Mass437.10
IUPAC Name2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC/N=C(\NCCc1ccco1)N1CCSC(CC)C1.I
InChIInChI=1S/C16H27N3OS.HI/c1-3-8-17-16(18-9-7-14-6-5-11-20-14)19-10-12-21-15(4-2)13-19;/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3,(H,17,18);1H
InChIKeyBWQQHXXPKRRLCS-UHFFFAOYSA-N
XLogP3.62
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 53.62
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485905
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 110057557
2-ethyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 136727070
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
2-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485937
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319
N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485431
N'-butyl-N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110061505
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide
CID 110056132
N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide
CID 110061686

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide (CID 110057565) is 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide is CCC/N=C(\NCCc1ccco1)N1CCSC(CC)C1.I.
What is the InChIKey of 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is BWQQHXXPKRRLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.HI/c1-3-8-17-16(18-9-7-14-6-5-11-20-14)19-10-12-21-15(4-2)13-19;/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide?
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 437.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110057565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).