N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide

C19H32N4OS — CID 109487166

IUPACN,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCCCn1c(C)cccc1=O)N1CCSC(CC)C1
InChIInChI=1S/C19H32N4OS/c1-4-17-15-22(13-14-25-17)19(20-5-2)21-11-6-7-12-23-16(3)9-8-10-18(23)24/h8-10,17H,4-7,11-15H2,1-3H3,(H,20,21)
InChIKeyDCZIGGIYBMTQCV-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.73
Rot. Bonds7

About N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide (PubChem CID 109487166) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide
PubChem CID109487166
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC NameN,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCCCn1c(C)cccc1=O)N1CCSC(CC)C1
InChIInChI=1S/C19H32N4OS/c1-4-17-15-22(13-14-25-17)19(20-5-2)21-11-6-7-12-23-16(3)9-8-10-18(23)24/h8-10,17H,4-7,11-15H2,1-3H3,(H,20,21)
InChIKeyDCZIGGIYBMTQCV-UHFFFAOYSA-N
XLogP2.73
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide with MolForge

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Related Compounds

3-benzyl-N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide
CID 111725553
4-ethoxy-N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
CID 111960895
4-ethoxy-N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111960894
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
N-[2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]ethyl]-3-methylbenzamide
CID 109487248
N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487277
N'-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486984
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485044
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide (CID 109487166) is N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide is CCN/C(=N\CCCCn1c(C)cccc1=O)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide?
The InChIKey is DCZIGGIYBMTQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-4-17-15-22(13-14-25-17)19(20-5-2)21-11-6-7-12-23-16(3)9-8-10-18(23)24/h8-10,17H,4-7,11-15H2,1-3H3,(H,20,21).
What are the key properties of N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide has a molecular weight of 364.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109487166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).