N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide

C16H29N5S — CID 109486322

IUPACN,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCCc1cn[nH]c1C)N1CCSC(CC)C1
InChIInChI=1S/C16H29N5S/c1-4-15-12-21(9-10-22-15)16(17-5-2)18-8-6-7-14-11-19-20-13(14)3/h11,15H,4-10,12H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyORNHWFPPTGVWNK-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.44
Rot. Bonds6

About N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide (PubChem CID 109486322) has the molecular formula C16H29N5S and a molecular weight of 323.51 g/mol. Its IUPAC name is N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide
PubChem CID109486322
Molecular FormulaC16H29N5S
Molecular Weight323.51 g/mol
Exact Mass323.21
IUPAC NameN,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCCc1cn[nH]c1C)N1CCSC(CC)C1
InChIInChI=1S/C16H29N5S/c1-4-15-12-21(9-10-22-15)16(17-5-2)18-8-6-7-14-11-19-20-13(14)3/h11,15H,4-10,12H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyORNHWFPPTGVWNK-UHFFFAOYSA-N
XLogP2.44
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide
CID 111210091
N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724171
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 109480992
N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947618
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
N-ethyl-4-(2-hydroxyphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboximidamide
CID 111185994
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486966
N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487277
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
N,2-diethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]thiomorpholine-4-carboximidamide
CID 109487166
N-ethyl-4-(4-methoxyphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111242230

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide (CID 109486322) is N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide is CCN/C(=N\CCCc1cn[nH]c1C)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide?
The InChIKey is ORNHWFPPTGVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5S/c1-4-15-12-21(9-10-22-15)16(17-5-2)18-8-6-7-14-11-19-20-13(14)3/h11,15H,4-10,12H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide has a molecular weight of 323.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).