N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide

C21H29N3O3S — CID 110059078

IUPACN-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide
SMILESc1coc(CCN/C(=N\CCc2cccs2)N2CCOC(C3CCCO3)C2)c1
InChIInChI=1S/C21H29N3O3S/c1-4-17(25-12-1)7-9-22-21(23-10-8-18-5-3-15-28-18)24-11-14-27-20(16-24)19-6-2-13-26-19/h1,3-5,12,15,19-20H,2,6-11,13-14,16H2,(H,22,23)
InChIKeySFHOSEMLKKLAFH-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide

N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide (PubChem CID 110059078) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide
PubChem CID110059078
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide
SMILESc1coc(CCN/C(=N\CCc2cccs2)N2CCOC(C3CCCO3)C2)c1
InChIInChI=1S/C21H29N3O3S/c1-4-17(25-12-1)7-9-22-21(23-10-8-18-5-3-15-28-18)24-11-14-27-20(16-24)19-6-2-13-26-19/h1,3-5,12,15,19-20H,2,6-11,13-14,16H2,(H,22,23)
InChIKeySFHOSEMLKKLAFH-UHFFFAOYSA-N
XLogP2.95
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.95
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

N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 110059075
N-[2-(furan-2-yl)ethyl]-N'-(2-thiophen-2-ylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboximidamide
CID 110060472
N-[2-(furan-2-yl)ethyl]-4-(oxolane-2-carbonyl)-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 110053516
N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(oxolan-3-ylmethyl)morpholine-4-carboximidamide
CID 110059054
2-[1-[N-[2-(furan-2-yl)ethyl]-N'-(2-thiophen-2-ylethyl)carbamimidoyl]piperidin-3-yl]acetamide
CID 110058164
N-[2-(furan-2-yl)ethyl]-4-(1-methylpyrrolidine-2-carbonyl)-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 110060208
N-[2-(furan-2-yl)ethyl]-3-pyrrolidin-1-yl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110055448
N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 110057366
N-[2-(furan-2-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056217
N'-benzyl-N-[2-(furan-2-yl)ethyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboximidamide
CID 110060448
N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110061541
N-[2-(furan-2-yl)ethyl]-3-(2-methoxyethoxymethyl)-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 111747916

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide (CID 110059078) is N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide is c1coc(CCN/C(=N\CCc2cccs2)N2CCOC(C3CCCO3)C2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide?
The InChIKey is SFHOSEMLKKLAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-4-17(25-12-1)7-9-22-21(23-10-8-18-5-3-15-28-18)24-11-14-27-20(16-24)19-6-2-13-26-19/h1,3-5,12,15,19-20H,2,6-11,13-14,16H2,(H,22,23).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide?
N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide has a molecular weight of 403.55 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(2-thiophen-2-ylethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 110059078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).