N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide

C15H23N5OS — CID 111050910

IUPACN'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1cccnc1N1CCOCC1)N1CCSCC1
InChIInChI=1S/C15H23N5OS/c16-15(20-6-10-22-11-7-20)18-12-13-2-1-3-17-14(13)19-4-8-21-9-5-19/h1-3H,4-12H2,(H2,16,18)
InChIKeyUCROBRNCJCBZNM-UHFFFAOYSA-N
MW321.45 g/mol
LogP0.78
Rot. Bonds3

About N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide

N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 111050910) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
PubChem CID111050910
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1cccnc1N1CCOCC1)N1CCSCC1
InChIInChI=1S/C15H23N5OS/c16-15(20-6-10-22-11-7-20)18-12-13-2-1-3-17-14(13)19-4-8-21-9-5-19/h1-3H,4-12H2,(H2,16,18)
InChIKeyUCROBRNCJCBZNM-UHFFFAOYSA-N
XLogP0.78
TPSA66.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 50.78
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-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide
CID 119118525
1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111050854
N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111063137
1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 75534547
1-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050837
N'-[(2-ethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111817688
N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119118543
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119118452
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111598471
N'-[[2-(imidazol-1-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119117813

Frequently Asked Questions

What is the IUPAC name of N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide (CID 111050910) is N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide is N/C(=N\Cc1cccnc1N1CCOCC1)N1CCSCC1.
What is the InChIKey of N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is UCROBRNCJCBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c16-15(20-6-10-22-11-7-20)18-12-13-2-1-3-17-14(13)19-4-8-21-9-5-19/h1-3H,4-12H2,(H2,16,18).
What are the key properties of N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 321.45 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111050910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).