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

C14H22N4OS — CID 111804494

IUPACN'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
SMILESCCCOc1ccc(C/N=C(\N)N2CCSCC2)cn1
InChIInChI=1S/C14H22N4OS/c1-2-7-19-13-4-3-12(10-16-13)11-17-14(15)18-5-8-20-9-6-18/h3-4,10H,2,5-9,11H2,1H3,(H2,15,17)
InChIKeyFASJTMBVJIYOMR-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.73
Rot. Bonds5

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

N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 111804494) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
PubChem CID111804494
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
SMILESCCCOc1ccc(C/N=C(\N)N2CCSCC2)cn1
InChIInChI=1S/C14H22N4OS/c1-2-7-19-13-4-3-12(10-16-13)11-17-14(15)18-5-8-20-9-6-18/h3-4,10H,2,5-9,11H2,1H3,(H2,15,17)
InChIKeyFASJTMBVJIYOMR-UHFFFAOYSA-N
XLogP1.73
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.73
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-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 111051246
2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111108995
N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 111048972
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111052850
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132
N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111039606
N'-[[4-(diethylaminomethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111036128
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285
N'-[2-(4-butoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111049744
4-acetyl-N-ethyl-N'-[(6-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547014
1-(1-methoxypropan-2-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804468

Frequently Asked Questions

What is the IUPAC name of N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide (CID 111804494) is N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide is CCCOc1ccc(C/N=C(\N)N2CCSCC2)cn1.
What is the InChIKey of N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is FASJTMBVJIYOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-2-7-19-13-4-3-12(10-16-13)11-17-14(15)18-5-8-20-9-6-18/h3-4,10H,2,5-9,11H2,1H3,(H2,15,17).
What are the key properties of N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 294.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111804494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).