5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile

C13H17N3O2S — CID 103508943

IUPAC5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile
SMILESCCC1CN(c2sc(C(C)=O)c(N)c2C#N)CCO1
InChIInChI=1S/C13H17N3O2S/c1-3-9-7-16(4-5-18-9)13-10(6-14)11(15)12(19-13)8(2)17/h9H,3-5,7,15H2,1-2H3
InChIKeyUMKPSWLSODGURW-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.02
Rot. Bonds3

About 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile

5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile (PubChem CID 103508943) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile
PubChem CID103508943
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile
SMILESCCC1CN(c2sc(C(C)=O)c(N)c2C#N)CCO1
InChIInChI=1S/C13H17N3O2S/c1-3-9-7-16(4-5-18-9)13-10(6-14)11(15)12(19-13)8(2)17/h9H,3-5,7,15H2,1-2H3
InChIKeyUMKPSWLSODGURW-UHFFFAOYSA-N
XLogP2.02
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone
CID 103508916
5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide
CID 103508944
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
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
5-acetyl-4-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103505534
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082
[3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103508950
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
5-acetyl-4-amino-2-(2,2-dimethylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103506654
3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile?
The IUPAC name of 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile (CID 103508943) is 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile is CCC1CN(c2sc(C(C)=O)c(N)c2C#N)CCO1.
What is the InChIKey of 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile?
The InChIKey is UMKPSWLSODGURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-9-7-16(4-5-18-9)13-10(6-14)11(15)12(19-13)8(2)17/h9H,3-5,7,15H2,1-2H3.
What are the key properties of 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile?
5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile has a molecular weight of 279.36 g/mol, XLogP of 2.02, 3 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-ethylmorpholin-4-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 103508943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).