5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile

C14H19N3O2S — CID 103526464

IUPAC5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile
SMILESCC(=O)c1sc(N2CC(C)OC(C)(C)C2)c(C#N)c1N
InChIInChI=1S/C14H19N3O2S/c1-8-6-17(7-14(3,4)19-8)13-10(5-15)11(16)12(20-13)9(2)18/h8H,6-7,16H2,1-4H3
InChIKeyWZACOZRLMDFRCJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.41
Rot. Bonds2

About 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile

5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile (PubChem CID 103526464) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile
PubChem CID103526464
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile
SMILESCC(=O)c1sc(N2CC(C)OC(C)(C)C2)c(C#N)c1N
InChIInChI=1S/C14H19N3O2S/c1-8-6-17(7-14(3,4)19-8)13-10(5-15)11(16)12(20-13)9(2)18/h8H,6-7,16H2,1-4H3
InChIKeyWZACOZRLMDFRCJ-UHFFFAOYSA-N
XLogP2.41
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-4-amino-2-(3,4-dihydroxypyrrolidin-1-yl)thiophene-3-carbonitrile
CID 106675006
5-acetyl-4-amino-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103421724
3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide
CID 103507650
5-acetyl-4-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103505534
5-acetyl-4-amino-2-(2,2-dimethylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103506654
3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
CID 103526491
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082
ethyl 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxylate
CID 103507667
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
methyl 3-amino-4-cyano-5-(2-methylmorpholin-4-yl)thiophene-2-carboxylate
CID 103419651
3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
CID 103526472
5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile
CID 103508943

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile?
The IUPAC name of 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile (CID 103526464) is 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile is CC(=O)c1sc(N2CC(C)OC(C)(C)C2)c(C#N)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile?
The InChIKey is WZACOZRLMDFRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-6-17(7-14(3,4)19-8)13-10(5-15)11(16)12(20-13)9(2)18/h8H,6-7,16H2,1-4H3.
What are the key properties of 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile?
5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile has a molecular weight of 293.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 103526464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).