5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H17NO2S2 — CID 16604937

IUPAC5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCc2sccc2C1
InChIInChI=1S/C17H17NO2S2/c19-22(20,18-9-7-17-15(12-18)8-10-21-17)16-6-5-13-3-1-2-4-14(13)11-16/h1-4,8,10-11H,5-7,9,12H2
InChIKeyOSZDBIOWAQOFQS-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.42
Rot. Bonds2

About 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 16604937) has the molecular formula C17H17NO2S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID16604937
Molecular FormulaC17H17NO2S2
Molecular Weight331.46 g/mol
Exact Mass331.07
IUPAC Name5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCc2sccc2C1
InChIInChI=1S/C17H17NO2S2/c19-22(20,18-9-7-17-15(12-18)8-10-21-17)16-6-5-13-3-1-2-4-14(13)11-16/h1-4,8,10-11H,5-7,9,12H2
InChIKeyOSZDBIOWAQOFQS-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-methyl-1,4-diazepane
CID 75412961
1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine
CID 39911934
2-(3,4-dihydronaphthalen-2-ylsulfonyl)thiophene
CID 138975244
(4aR,8aR)-1-(3,4-dihydronaphthalen-2-ylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100878633
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
CID 62149886
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
(9aS)-2-(3,4-dihydronaphthalen-2-ylsulfonyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124831974
1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 7590284
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30664840
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30289320

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 16604937) is 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(C1=Cc2ccccc2CC1)N1CCc2sccc2C1.
What is the InChIKey of 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is OSZDBIOWAQOFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S2/c19-22(20,18-9-7-17-15(12-18)8-10-21-17)16-6-5-13-3-1-2-4-14(13)11-16/h1-4,8,10-11H,5-7,9,12H2.
What are the key properties of 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 331.46 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 16604937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).