1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine

C18H25NS — CID 14762893

IUPAC1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
SMILESCSc1cccc(C2(N3CC=CCC3)CCCCC2)c1
InChIInChI=1S/C18H25NS/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h3,6,8-10,15H,2,4-5,7,11-14H2,1H3
InChIKeyBFUDNKKAHZEVAY-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.83
Rot. Bonds3

About 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine

1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine (PubChem CID 14762893) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
PubChem CID14762893
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
SMILESCSc1cccc(C2(N3CC=CCC3)CCCCC2)c1
InChIInChI=1S/C18H25NS/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h3,6,8-10,15H,2,4-5,7,11-14H2,1H3
InChIKeyBFUDNKKAHZEVAY-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine (CID 14762893) is 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine is CSc1cccc(C2(N3CC=CCC3)CCCCC2)c1.
What is the InChIKey of 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine?
The InChIKey is BFUDNKKAHZEVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h3,6,8-10,15H,2,4-5,7,11-14H2,1H3.
What are the key properties of 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine?
1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine has a molecular weight of 287.47 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14762893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).