2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

C16H24N4OS — CID 86776366

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCC1CN(CCNCc2cn[nH]c2-c2cccs2)CC(C)O1
InChIInChI=1S/C16H24N4OS/c1-12-10-20(11-13(2)21-12)6-5-17-8-14-9-18-19-16(14)15-4-3-7-22-15/h3-4,7,9,12-13,17H,5-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyGSTGBWBFAGCQTH-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.34
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 86776366) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID86776366
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCC1CN(CCNCc2cn[nH]c2-c2cccs2)CC(C)O1
InChIInChI=1S/C16H24N4OS/c1-12-10-20(11-13(2)21-12)6-5-17-8-14-9-18-19-16(14)15-4-3-7-22-15/h3-4,7,9,12-13,17H,5-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyGSTGBWBFAGCQTH-UHFFFAOYSA-N
XLogP2.34
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 86776366) is 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is CC1CN(CCNCc2cn[nH]c2-c2cccs2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is GSTGBWBFAGCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12-10-20(11-13(2)21-12)6-5-17-8-14-9-18-19-16(14)15-4-3-7-22-15/h3-4,7,9,12-13,17H,5-6,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 320.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 86776366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).