N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide

C13H17N3O3S — CID 81214186

IUPACN-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
SMILESCC1COC(CO)CN1CC(=O)Nc1sccc1C#N
InChIInChI=1S/C13H17N3O3S/c1-9-8-19-11(7-17)5-16(9)6-12(18)15-13-10(4-14)2-3-20-13/h2-3,9,11,17H,5-8H2,1H3,(H,15,18)
InChIKeyPSWYNIQLQHOBAZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.64
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide (PubChem CID 81214186) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
PubChem CID81214186
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
SMILESCC1COC(CO)CN1CC(=O)Nc1sccc1C#N
InChIInChI=1S/C13H17N3O3S/c1-9-8-19-11(7-17)5-16(9)6-12(18)15-13-10(4-14)2-3-20-13/h2-3,9,11,17H,5-8H2,1H3,(H,15,18)
InChIKeyPSWYNIQLQHOBAZ-UHFFFAOYSA-N
XLogP0.64
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide (CID 81214186) is N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide is CC1COC(CO)CN1CC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The InChIKey is PSWYNIQLQHOBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-8-19-11(7-17)5-16(9)6-12(18)15-13-10(4-14)2-3-20-13/h2-3,9,11,17H,5-8H2,1H3,(H,15,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 81214186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).