(5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile

C14H10N2O3S — CID 722268

IUPAC(5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile
SMILESCC1=C[C@H](c2ccoc2)c2c(oc(N)c(C#N)c2=O)S1
InChIInChI=1S/C14H10N2O3S/c1-7-4-9(8-2-3-18-6-8)11-12(17)10(5-15)13(16)19-14(11)20-7/h2-4,6,9H,16H2,1H3/t9-/m1/s1
InChIKeyCDFOMLMBRIBFJF-SECBINFHSA-N
MW286.31 g/mol
LogP2.83
Rot. Bonds1

About (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile

(5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile (PubChem CID 722268) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile.

Molecular Properties

Compound Name(5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile
PubChem CID722268
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name(5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile
SMILESCC1=C[C@H](c2ccoc2)c2c(oc(N)c(C#N)c2=O)S1
InChIInChI=1S/C14H10N2O3S/c1-7-4-9(8-2-3-18-6-8)11-12(17)10(5-15)13(16)19-14(11)20-7/h2-4,6,9H,16H2,1H3/t9-/m1/s1
InChIKeyCDFOMLMBRIBFJF-SECBINFHSA-N
XLogP2.83
TPSA93.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-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

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile?
The IUPAC name of (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile (CID 722268) is (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile.
What is the SMILES notation for (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile?
The canonical SMILES for (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile is CC1=C[C@H](c2ccoc2)c2c(oc(N)c(C#N)c2=O)S1.
What is the InChIKey of (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile?
The InChIKey is CDFOMLMBRIBFJF-SECBINFHSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-7-4-9(8-2-3-18-6-8)11-12(17)10(5-15)13(16)19-14(11)20-7/h2-4,6,9H,16H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile?
(5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile has a molecular weight of 286.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile is sourced from PubChem (CID 722268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).