5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile

C15H14N2O2S2 — CID 106268220

IUPAC5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile
SMILESCC1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)s2)C1
InChIInChI=1S/C15H14N2O2S2/c1-11-8-12-4-2-3-5-14(12)17(10-11)21(18,19)15-7-6-13(9-16)20-15/h2-7,11H,8,10H2,1H3
InChIKeyFPGFZGPVNLDCOH-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.01
Rot. Bonds2

About 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile

5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile (PubChem CID 106268220) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile
PubChem CID106268220
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile
SMILESCC1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)s2)C1
InChIInChI=1S/C15H14N2O2S2/c1-11-8-12-4-2-3-5-14(12)17(10-11)21(18,19)15-7-6-13(9-16)20-15/h2-7,11H,8,10H2,1H3
InChIKeyFPGFZGPVNLDCOH-UHFFFAOYSA-N
XLogP3.01
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166105
4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63947239
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110415887
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 63378163
N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110416315
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
3-methyl-1-(piperidin-4-ylmethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 63539873
5-(4-methylazepan-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166259
3-[[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzonitrile
CID 95182889
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one
CID 110616863
2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole
CID 110609322

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile (CID 106268220) is 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile is CC1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)s2)C1.
What is the InChIKey of 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile?
The InChIKey is FPGFZGPVNLDCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-11-8-12-4-2-3-5-14(12)17(10-11)21(18,19)15-7-6-13(9-16)20-15/h2-7,11H,8,10H2,1H3.
What are the key properties of 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile?
5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile has a molecular weight of 318.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile is sourced from PubChem (CID 106268220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).