N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide

C15H28N4OS — CID 109484818

IUPACN,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CC(=O)N1CCCC1)N1CCSC(CC)C1
InChIInChI=1S/C15H28N4OS/c1-3-13-12-19(9-10-21-13)15(16-4-2)17-11-14(20)18-7-5-6-8-18/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyZYVQFDCADZFOHS-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.40
Rot. Bonds4

About N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide

N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide (PubChem CID 109484818) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
PubChem CID109484818
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC NameN,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CC(=O)N1CCCC1)N1CCSC(CC)C1
InChIInChI=1S/C15H28N4OS/c1-3-13-12-19(9-10-21-13)15(16-4-2)17-11-14(20)18-7-5-6-8-18/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyZYVQFDCADZFOHS-UHFFFAOYSA-N
XLogP1.40
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.40
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'}

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide (CID 109484818) is N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide is CCN/C(=N\CC(=O)N1CCCC1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide?
The InChIKey is ZYVQFDCADZFOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-3-13-12-19(9-10-21-13)15(16-4-2)17-11-14(20)18-7-5-6-8-18/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide has a molecular weight of 312.48 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109484818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).