(4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile

C15H14N2O2S — CID 777440

IUPAC(4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile
SMILESCc1ccc([C@H]2C(C#N)=C(N)SC3=C2C(=O)CCC3)o1
InChIInChI=1S/C15H14N2O2S/c1-8-5-6-11(19-8)13-9(7-16)15(17)20-12-4-2-3-10(18)14(12)13/h5-6,13H,2-4,17H2,1H3/t13-/m1/s1
InChIKeyZOLJSKITHSLMLR-CYBMUJFWSA-N
MW286.36 g/mol
LogP3.12
Rot. Bonds1

About (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile

(4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile (PubChem CID 777440) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile
PubChem CID777440
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile
SMILESCc1ccc([C@H]2C(C#N)=C(N)SC3=C2C(=O)CCC3)o1
InChIInChI=1S/C15H14N2O2S/c1-8-5-6-11(19-8)13-9(7-16)15(17)20-12-4-2-3-10(18)14(12)13/h5-6,13H,2-4,17H2,1H3/t13-/m1/s1
InChIKeyZOLJSKITHSLMLR-CYBMUJFWSA-N
XLogP3.12
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-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 (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile (CID 777440) is (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile is Cc1ccc([C@H]2C(C#N)=C(N)SC3=C2C(=O)CCC3)o1.
What is the InChIKey of (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile?
The InChIKey is ZOLJSKITHSLMLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-8-5-6-11(19-8)13-9(7-16)15(17)20-12-4-2-3-10(18)14(12)13/h5-6,13H,2-4,17H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile?
(4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrothiochromene-3-carbonitrile is sourced from PubChem (CID 777440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).