2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C11H12N2O2S — CID 2942418

IUPAC2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCS(=O)(=O)c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C11H12N2O2S/c1-16(14,15)11-9(7-12)6-8-4-2-3-5-10(8)13-11/h6H,2-5H2,1H3
InChIKeyKUOFRRPLEGSJPH-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.24
Rot. Bonds1

About 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 2942418) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID2942418
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCS(=O)(=O)c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C11H12N2O2S/c1-16(14,15)11-9(7-12)6-8-4-2-3-5-10(8)13-11/h6H,2-5H2,1H3
InChIKeyKUOFRRPLEGSJPH-UHFFFAOYSA-N
XLogP1.24
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
2-(Benzylsulfonyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 697579
2-(Methylsulfonyl)-4,6-diphenylnicotinonitrile
CID 893661
2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 681229
2-[(Cyanomethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 646581
2-[(Cyanomethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 658114
1-Methyl-3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 661866
2-(Benzylsulfanyl)-6,6-dimethyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 851112
2-{[2-(Benzylsulfonyl)ethyl]thio}-4,6-dimethylnicotinonitrile
CID 893857
2-[(Cyanomethyl)sulfanyl]-6-ethyl-5-methylnicotinonitrile
CID 1714105
2-(Cyanomethylthio)-8-methylquinoline-3-carbonitrile
CID 3141909
1-Ethyl-3-(ethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3700691

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 2942418) is 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CS(=O)(=O)c1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is KUOFRRPLEGSJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-16(14,15)11-9(7-12)6-8-4-2-3-5-10(8)13-11/h6H,2-5H2,1H3.
What are the key properties of 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 236.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 2942418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).