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

C13H19N3O2S — CID 103526491

IUPAC3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
SMILESCOc1c(N2CC(C)OC(C)(C)C2)sc(C#N)c1N
InChIInChI=1S/C13H19N3O2S/c1-8-6-16(7-13(2,3)18-8)12-11(17-4)10(15)9(5-14)19-12/h8H,6-7,15H2,1-4H3
InChIKeyBYYSKGXIMXKNPG-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.21
Rot. Bonds2

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

3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile (PubChem CID 103526491) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
PubChem CID103526491
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
SMILESCOc1c(N2CC(C)OC(C)(C)C2)sc(C#N)c1N
InChIInChI=1S/C13H19N3O2S/c1-8-6-16(7-13(2,3)18-8)12-11(17-4)10(15)9(5-14)19-12/h8H,6-7,15H2,1-4H3
InChIKeyBYYSKGXIMXKNPG-UHFFFAOYSA-N
XLogP2.21
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile (CID 103526491) is 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile is COc1c(N2CC(C)OC(C)(C)C2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile?
The InChIKey is BYYSKGXIMXKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-6-16(7-13(2,3)18-8)12-11(17-4)10(15)9(5-14)19-12/h8H,6-7,15H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile?
3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile has a molecular weight of 281.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 103526491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).