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

C14H10N2O3S — CID 722267

IUPAC(5S)-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-/m0/s1
InChIKeyCDFOMLMBRIBFJF-VIFPVBQESA-N
MW286.31 g/mol
LogP2.83
Rot. Bonds1

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

(5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile (PubChem CID 722267) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is (5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile.

Molecular Properties

Compound Name(5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile
PubChem CID722267
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name(5S)-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-/m0/s1
InChIKeyCDFOMLMBRIBFJF-VIFPVBQESA-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 (5S)-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

Related Compounds

2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2839408
Cambridge id 5278572
CID 2839149
2,6-diamino-4-(furan-3-yl)-4H-thiopyran-3,5-dicarbonitrile
CID 845429
2-amino-4-(furan-3-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2839606
2-Amino-4-(2-furanyl)-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-3-carbonitrile
CID 2839096
Cambridge id 5278655
CID 2839155
Cambridge id 5285837
CID 2839567
2-amino-5-(3-furyl)-7-methyl-4-oxo-5H-thiino[2,3-b]pyran-3-carbonitrile
CID 4377841
2-Amino-4-(furan-2-yl)-7,8-dihydro-4h,5h-thiopyrano[4,3-b]pyran-3-carbonitrile
CID 129837988
4-(Furan-3-yl)-2-imino-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrochromene-3-carbonitrile
CID 132461447
2-amino-4-[2-(ethylsulfanyl)-5-methylfuran-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 4766860
(4R)-2-amino-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 685309

Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile?
The IUPAC name of (5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile (CID 722267) is (5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile.
What is the SMILES notation for (5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile?
The canonical SMILES for (5S)-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 (5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile?
The InChIKey is CDFOMLMBRIBFJF-VIFPVBQESA-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-/m0/s1.
What are the key properties of (5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile?
(5S)-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 (5S)-2-amino-5-(furan-3-yl)-7-methyl-4-oxo-5H-thiopyrano[2,3-b]pyran-3-carbonitrile is sourced from PubChem (CID 722267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).