1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline

C13H13NO2S2 — CID 2051438

IUPAC1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cccs1)N1CCCc2ccccc21
InChIInChI=1S/C13H13NO2S2/c15-18(16,13-8-4-10-17-13)14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyVOZPNPFLXSUMIB-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.89
Rot. Bonds2

About 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline

1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 2051438) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID2051438
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cccs1)N1CCCc2ccccc21
InChIInChI=1S/C13H13NO2S2/c15-18(16,13-8-4-10-17-13)14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyVOZPNPFLXSUMIB-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034
1-(Phenylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 225584
7-Fluoro-2-methyl-1-(2-thienylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2942513
N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738606
2-{[4-(2-Methylphenyl)piperazinyl]sulfonyl}thiophene
CID 6470203
N-(1-tosyl-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 18578080
4-methyl-N-(1-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
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2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 694184
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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline (CID 2051438) is 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline is O=S(=O)(c1cccs1)N1CCCc2ccccc21.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is VOZPNPFLXSUMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c15-18(16,13-8-4-10-17-13)14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10H,3,6,9H2.
What are the key properties of 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 279.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2051438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).