4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile

C13H11NOS2 — CID 11859415

IUPAC4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile
SMILESCc1ccc(-c2csc([S@@](C)=O)c2C#N)cc1
InChIInChI=1S/C13H11NOS2/c1-9-3-5-10(6-4-9)12-8-16-13(17(2)15)11(12)7-14/h3-6,8H,1-2H3/t17-/m1/s1
InChIKeyNCFVGGKBAMASBY-QGZVFWFLSA-N
MW261.37 g/mol
LogP3.33
Rot. Bonds2

About 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile

4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile (PubChem CID 11859415) has the molecular formula C13H11NOS2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile
PubChem CID11859415
Molecular FormulaC13H11NOS2
Molecular Weight261.37 g/mol
Exact Mass261.03
IUPAC Name4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile
SMILESCc1ccc(-c2csc([S@@](C)=O)c2C#N)cc1
InChIInChI=1S/C13H11NOS2/c1-9-3-5-10(6-4-9)12-8-16-13(17(2)15)11(12)7-14/h3-6,8H,1-2H3/t17-/m1/s1
InChIKeyNCFVGGKBAMASBY-QGZVFWFLSA-N
XLogP3.33
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 13398047
ethane;ethyl 4-cyano-3-(4-methylphenyl)-5-methylsulfinylthiophene-2-carboxylate
CID 143082047
2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile
CID 71565192
2-fluoro-6-(4-methylsulfinylphenyl)benzonitrile
CID 59882079
5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile
CID 150365380
6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585767
2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]benzonitrile
CID 59975018
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
2-fluoro-6-[(S)-(4-methylphenyl)sulfinyl]benzonitrile
CID 129363821
2-(4-aminophenyl)sulfanyl-N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]-2-phenylacetamide
CID 23094859
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
2-[(2R)-butan-2-yl]sulfonyl-4-(4-chlorophenyl)thiophene-3-carbonitrile
CID 6927365

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile?
The IUPAC name of 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile (CID 11859415) is 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile.
What is the SMILES notation for 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile?
The canonical SMILES for 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile is Cc1ccc(-c2csc([S@@](C)=O)c2C#N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile?
The InChIKey is NCFVGGKBAMASBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C13H11NOS2/c1-9-3-5-10(6-4-9)12-8-16-13(17(2)15)11(12)7-14/h3-6,8H,1-2H3/t17-/m1/s1.
What are the key properties of 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile?
4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile is sourced from PubChem (CID 11859415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).