3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide

C12H16N4O2S — CID 103507650

IUPAC3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide
SMILESC[C@@H]1CN(c2sc(C(N)=O)c(N)c2C#N)C[C@H](C)O1
InChIInChI=1S/C12H16N4O2S/c1-6-4-16(5-7(2)18-6)12-8(3-13)9(14)10(19-12)11(15)17/h6-7H,4-5,14H2,1-2H3,(H2,15,17)/t6-,7+
InChIKeyNOOGMPMJPPUUPJ-KNVOCYPGSA-N
MW280.35 g/mol
LogP0.91
Rot. Bonds2

About 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide

3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide (PubChem CID 103507650) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide
PubChem CID103507650
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide
SMILESC[C@@H]1CN(c2sc(C(N)=O)c(N)c2C#N)C[C@H](C)O1
InChIInChI=1S/C12H16N4O2S/c1-6-4-16(5-7(2)18-6)12-8(3-13)9(14)10(19-12)11(15)17/h6-7H,4-5,14H2,1-2H3,(H2,15,17)/t6-,7+
InChIKeyNOOGMPMJPPUUPJ-KNVOCYPGSA-N
XLogP0.91
TPSA105.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

ethyl 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxylate
CID 103507667
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
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
3-amino-4-cyano-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
CID 103507262
3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103418253
3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide
CID 103422771
3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708
methyl 3-amino-4-cyano-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507257
3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417583
4-amino-5-(2-methylpropanoyl)-2-(2-methylthiomorpholin-4-yl)thiophene-3-carbonitrile
CID 103507460
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103542422

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide (CID 103507650) is 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide is C[C@@H]1CN(c2sc(C(N)=O)c(N)c2C#N)C[C@H](C)O1.
What is the InChIKey of 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide?
The InChIKey is NOOGMPMJPPUUPJ-KNVOCYPGSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-6-4-16(5-7(2)18-6)12-8(3-13)9(14)10(19-12)11(15)17/h6-7H,4-5,14H2,1-2H3,(H2,15,17)/t6-,7+.
What are the key properties of 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide?
3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103507650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).