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

C11H20N4OS — CID 111040296

IUPACN'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC(=O)N1CCCC1)N1CCSCC1
InChIInChI=1S/C11H20N4OS/c12-11(15-5-7-17-8-6-15)13-9-10(16)14-3-1-2-4-14/h1-9H2,(H2,12,13)
InChIKeyBYYYAKYIXYMBDL-UHFFFAOYSA-N
MW256.37 g/mol
LogP-0.03
Rot. Bonds2

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

N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide (PubChem CID 111040296) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
PubChem CID111040296
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC(=O)N1CCCC1)N1CCSCC1
InChIInChI=1S/C11H20N4OS/c12-11(15-5-7-17-8-6-15)13-9-10(16)14-3-1-2-4-14/h1-9H2,(H2,12,13)
InChIKeyBYYYAKYIXYMBDL-UHFFFAOYSA-N
XLogP-0.03
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 5-0.03
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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Related Compounds

N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111093183
tert-butyl 2-[[amino(thiomorpholin-4-yl)methylidene]amino]acetate
CID 111801462
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
CID 111097813
2-amino-1-(1,4-thiazepan-4-yl)ethanone
CID 61419104
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111030658
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574

Frequently Asked Questions

What is the IUPAC name of N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide (CID 111040296) is N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide is N/C(=N\CC(=O)N1CCCC1)N1CCSCC1.
What is the InChIKey of N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide?
The InChIKey is BYYYAKYIXYMBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c12-11(15-5-7-17-8-6-15)13-9-10(16)14-3-1-2-4-14/h1-9H2,(H2,12,13).
What are the key properties of N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide?
N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide has a molecular weight of 256.37 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111040296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).