2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide

C16H26N4OS — CID 120661078

IUPAC2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(c2cccs2)N2CCCC2)CCO1
InChIInChI=1S/C16H26N4OS/c1-13-12-20(8-9-21-13)16(17)18-11-14(15-5-4-10-22-15)19-6-2-3-7-19/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H2,17,18)
InChIKeyNNURRVGODLZOPR-UHFFFAOYSA-N
MW322.48 g/mol
LogP1.92
Rot. Bonds4

About 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide

2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide (PubChem CID 120661078) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
PubChem CID120661078
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(c2cccs2)N2CCCC2)CCO1
InChIInChI=1S/C16H26N4OS/c1-13-12-20(8-9-21-13)16(17)18-11-14(15-5-4-10-22-15)19-6-2-3-7-19/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H2,17,18)
InChIKeyNNURRVGODLZOPR-UHFFFAOYSA-N
XLogP1.92
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661071
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661059
N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
CID 111029048
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067
N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111722032
1-butan-2-yl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111722041
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)guanidine
CID 111722037
4-(4-fluorophenyl)-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 111029896
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111721995
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 119142402
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111722071
N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide (CID 120661078) is 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide is CC1CN(/C(N)=N/CC(c2cccs2)N2CCCC2)CCO1.
What is the InChIKey of 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide?
The InChIKey is NNURRVGODLZOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-13-12-20(8-9-21-13)16(17)18-11-14(15-5-4-10-22-15)19-6-2-3-7-19/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H2,17,18).
What are the key properties of 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide?
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide has a molecular weight of 322.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 120661078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).