4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile

C15H21N3O2S — CID 103509328

IUPAC4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
SMILESCC(C)C(=O)c1sc(N2CCOC(C)(C)C2)c(C#N)c1N
InChIInChI=1S/C15H21N3O2S/c1-9(2)12(19)13-11(17)10(7-16)14(21-13)18-5-6-20-15(3,4)8-18/h9H,5-6,8,17H2,1-4H3
InChIKeyPSWPZSHRQWCVCC-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.66
Rot. Bonds3

About 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile

4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile (PubChem CID 103509328) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
PubChem CID103509328
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
SMILESCC(C)C(=O)c1sc(N2CCOC(C)(C)C2)c(C#N)c1N
InChIInChI=1S/C15H21N3O2S/c1-9(2)12(19)13-11(17)10(7-16)14(21-13)18-5-6-20-15(3,4)8-18/h9H,5-6,8,17H2,1-4H3
InChIKeyPSWPZSHRQWCVCC-UHFFFAOYSA-N
XLogP2.66
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(3,3-dimethylpiperidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422565
4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103418768
4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103421663
4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103507460
5-acetyl-4-amino-2-(2,2-dimethylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103506654
5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile
CID 103526464
5-acetyl-4-amino-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103421724
ethyl 4-amino-5-cyano-2-(2,2-dimethylmorpholin-4-yl)thiophene-3-carboxylate
CID 103509319
5-acetyl-4-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103505534
3-amino-5-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103509324
ethyl 3-amino-4-cyano-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103505607
3-amino-4-cyclopropyl-5-(2,2-dimethylmorpholin-4-yl)-N-methylthiophene-2-carboxamide
CID 103509349

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile (CID 103509328) is 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile is CC(C)C(=O)c1sc(N2CCOC(C)(C)C2)c(C#N)c1N.
What is the InChIKey of 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The InChIKey is PSWPZSHRQWCVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9(2)12(19)13-11(17)10(7-16)14(21-13)18-5-6-20-15(3,4)8-18/h9H,5-6,8,17H2,1-4H3.
What are the key properties of 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile has a molecular weight of 307.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2-dimethylmorpholin-4-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile is sourced from PubChem (CID 103509328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).