3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile

C10H13N3OS2 — CID 103419029

IUPAC3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile
SMILESCSc1c(N2CCOCC2)sc(C#N)c1N
InChIInChI=1S/C10H13N3OS2/c1-15-9-8(12)7(6-11)16-10(9)13-2-4-14-5-3-13/h2-5,12H2,1H3
InChIKeyGKGIZVAYLOZNHF-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.76
Rot. Bonds2

About 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile

3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile (PubChem CID 103419029) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile
PubChem CID103419029
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile
SMILESCSc1c(N2CCOCC2)sc(C#N)c1N
InChIInChI=1S/C10H13N3OS2/c1-15-9-8(12)7(6-11)16-10(9)13-2-4-14-5-3-13/h2-5,12H2,1H3
InChIKeyGKGIZVAYLOZNHF-UHFFFAOYSA-N
XLogP1.76
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carbonitrile
CID 103418714
3-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfanylthiophene-2-carbonitrile
CID 103421393
3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methylsulfanylthiophene-2-carbonitrile
CID 103506671
3-amino-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carbonitrile
CID 103421786
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylthiophene-2-carbonitrile
CID 103422654
4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine
CID 103362097
ethyl 3-amino-4-methylsulfanyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxylate
CID 103421776
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
CID 21319839
3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile
CID 102162761
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419314
3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarbonitrile
CID 103418394
3-amino-5-[2-(4-methylpiperazin-1-yl)ethylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103432405

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile (CID 103419029) is 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile is CSc1c(N2CCOCC2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile?
The InChIKey is GKGIZVAYLOZNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-15-9-8(12)7(6-11)16-10(9)13-2-4-14-5-3-13/h2-5,12H2,1H3.
What are the key properties of 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile?
3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile has a molecular weight of 255.37 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfanyl-5-morpholin-4-ylthiophene-2-carbonitrile is sourced from PubChem (CID 103419029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).