N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide

C15H25N5S — CID 111048972

IUPACN'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
SMILESCCN(CC)c1ccc(C/N=C(\N)N2CCSCC2)cn1
InChIInChI=1S/C15H25N5S/c1-3-19(4-2)14-6-5-13(11-17-14)12-18-15(16)20-7-9-21-10-8-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,16,18)
InChIKeyIVYFUKJEJJQHSC-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.79
Rot. Bonds5

About N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide

N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 111048972) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
PubChem CID111048972
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC NameN'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
SMILESCCN(CC)c1ccc(C/N=C(\N)N2CCSCC2)cn1
InChIInChI=1S/C15H25N5S/c1-3-19(4-2)14-6-5-13(11-17-14)12-18-15(16)20-7-9-21-10-8-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,16,18)
InChIKeyIVYFUKJEJJQHSC-UHFFFAOYSA-N
XLogP1.79
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.79
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'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111804494
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
N'-[[4-(diethylaminomethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111036128
N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111039606
N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 111051246
N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111052850
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 111078321
N'-[(4-fluoro-3-methylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111038549
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-(3-methylbutyl)guanidine
CID 111048912
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111087424

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide (CID 111048972) is N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide is CCN(CC)c1ccc(C/N=C(\N)N2CCSCC2)cn1.
What is the InChIKey of N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is IVYFUKJEJJQHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-3-19(4-2)14-6-5-13(11-17-14)12-18-15(16)20-7-9-21-10-8-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,16,18).
What are the key properties of N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 307.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111048972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).