4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine

C17H19NOS — CID 57180108

IUPAC4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine
SMILESCOc1ccc2c(c1)C(CSc1ccncc1)CCC2
InChIInChI=1S/C17H19NOS/c1-19-15-6-5-13-3-2-4-14(17(13)11-15)12-20-16-7-9-18-10-8-16/h5-11,14H,2-4,12H2,1H3
InChIKeyOTTZESHSNNOKOP-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.30
Rot. Bonds4

About 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine

4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine (PubChem CID 57180108) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine
PubChem CID57180108
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine
SMILESCOc1ccc2c(c1)C(CSc1ccncc1)CCC2
InChIInChI=1S/C17H19NOS/c1-19-15-6-5-13-3-2-4-14(17(13)11-15)12-20-16-7-9-18-10-8-16/h5-11,14H,2-4,12H2,1H3
InChIKeyOTTZESHSNNOKOP-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
(1R)-1-(3-bromopropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129362608
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
CID 67867574
4-hydroxy-1-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 54688846
4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine
CID 138696282
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine?
The IUPAC name of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine (CID 57180108) is 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine.
What is the SMILES notation for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine?
The canonical SMILES for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine is COc1ccc2c(c1)C(CSc1ccncc1)CCC2.
What is the InChIKey of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine?
The InChIKey is OTTZESHSNNOKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-19-15-6-5-13-3-2-4-14(17(13)11-15)12-20-16-7-9-18-10-8-16/h5-11,14H,2-4,12H2,1H3.
What are the key properties of 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine?
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine has a molecular weight of 285.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylsulfanyl]pyridine is sourced from PubChem (CID 57180108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).