N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C13H17N3O2S — CID 3690201

IUPACN-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2sccc2C#N)CC(C)O1
InChIInChI=1S/C13H17N3O2S/c1-9-6-16(7-10(2)18-9)8-12(17)15-13-11(5-14)3-4-19-13/h3-4,9-10H,6-8H2,1-2H3,(H,15,17)
InChIKeyJWJHVRLALUGUFI-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.67
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 3690201) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID3690201
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2sccc2C#N)CC(C)O1
InChIInChI=1S/C13H17N3O2S/c1-9-6-16(7-10(2)18-9)8-12(17)15-13-11(5-14)3-4-19-13/h3-4,9-10H,6-8H2,1-2H3,(H,15,17)
InChIKeyJWJHVRLALUGUFI-UHFFFAOYSA-N
XLogP1.67
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 3690201) is N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2sccc2C#N)CC(C)O1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is JWJHVRLALUGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-6-16(7-10(2)18-9)8-12(17)15-13-11(5-14)3-4-19-13/h3-4,9-10H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 3690201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).