5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile

C15H16N2O2S — CID 97160353

IUPAC5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile
SMILESCc1ccc([C@@H]2CSCCN2Cc2ccc(C#N)o2)o1
InChIInChI=1S/C15H16N2O2S/c1-11-2-5-15(18-11)14-10-20-7-6-17(14)9-13-4-3-12(8-16)19-13/h2-5,14H,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyBCAORNNWLHMWDS-AWEZNQCLSA-N
MW288.37 g/mol
LogP3.34
Rot. Bonds3

About 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile

5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile (PubChem CID 97160353) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile
PubChem CID97160353
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile
SMILESCc1ccc([C@@H]2CSCCN2Cc2ccc(C#N)o2)o1
InChIInChI=1S/C15H16N2O2S/c1-11-2-5-15(18-11)14-10-20-7-6-17(14)9-13-4-3-12(8-16)19-13/h2-5,14H,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyBCAORNNWLHMWDS-AWEZNQCLSA-N
XLogP3.34
TPSA53.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-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 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile (CID 97160353) is 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile is Cc1ccc([C@@H]2CSCCN2Cc2ccc(C#N)o2)o1.
What is the InChIKey of 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile?
The InChIKey is BCAORNNWLHMWDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-2-5-15(18-11)14-10-20-7-6-17(14)9-13-4-3-12(8-16)19-13/h2-5,14H,6-7,9-10H2,1H3/t14-/m0/s1.
What are the key properties of 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile?
5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile has a molecular weight of 288.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile is sourced from PubChem (CID 97160353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).