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

C15H23N3O2S — CID 103526472

IUPAC3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
SMILESCC(C)Oc1c(N2CC(C)OC(C)(C)C2)sc(C#N)c1N
InChIInChI=1S/C15H23N3O2S/c1-9(2)19-13-12(17)11(6-16)21-14(13)18-7-10(3)20-15(4,5)8-18/h9-10H,7-8,17H2,1-5H3
InChIKeyKWNVDWBOBLDNFO-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.99
Rot. Bonds3

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

3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile (PubChem CID 103526472) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
PubChem CID103526472
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
SMILESCC(C)Oc1c(N2CC(C)OC(C)(C)C2)sc(C#N)c1N
InChIInChI=1S/C15H23N3O2S/c1-9(2)19-13-12(17)11(6-16)21-14(13)18-7-10(3)20-15(4,5)8-18/h9-10H,7-8,17H2,1-5H3
InChIKeyKWNVDWBOBLDNFO-UHFFFAOYSA-N
XLogP2.99
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile
CID 103526491
3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422080
5-acetyl-4-amino-2-(2,2,6-trimethylmorpholin-4-yl)thiophene-3-carbonitrile
CID 103526464
3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103420224
3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508090
3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 106029516
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile
CID 103507576
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506699
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506256
3-amino-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carbonitrile
CID 103421786
3-amino-5-[(4-ethylcyclohexyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508365
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422148

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile (CID 103526472) is 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile is CC(C)Oc1c(N2CC(C)OC(C)(C)C2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile?
The InChIKey is KWNVDWBOBLDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9(2)19-13-12(17)11(6-16)21-14(13)18-7-10(3)20-15(4,5)8-18/h9-10H,7-8,17H2,1-5H3.
What are the key properties of 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile?
3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile has a molecular weight of 309.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propan-2-yloxy-5-(2,2,6-trimethylmorpholin-4-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 103526472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).