(2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine

C25H25NS — CID 11406104

IUPAC(2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
SMILESC[C@H]1C=C(Sc2ccccc2)C[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H25NS/c1-20-17-24(27-23-15-9-4-10-16-23)18-25(22-13-7-3-8-14-22)26(20)19-21-11-5-2-6-12-21/h2-17,20,25H,18-19H2,1H3/t20-,25-/m0/s1
InChIKeyAFFXHCGTEKXEBW-CPJSRVTESA-N
MW371.55 g/mol
LogP6.70
Rot. Bonds5

About (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine

(2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine (PubChem CID 11406104) has the molecular formula C25H25NS and a molecular weight of 371.55 g/mol. Its IUPAC name is (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
PubChem CID11406104
Molecular FormulaC25H25NS
Molecular Weight371.55 g/mol
Exact Mass371.17
IUPAC Name(2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
SMILESC[C@H]1C=C(Sc2ccccc2)C[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H25NS/c1-20-17-24(27-23-15-9-4-10-16-23)18-25(22-13-7-3-8-14-22)26(20)19-21-11-5-2-6-12-21/h2-17,20,25H,18-19H2,1H3/t20-,25-/m0/s1
InChIKeyAFFXHCGTEKXEBW-CPJSRVTESA-N
XLogP6.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine?
The IUPAC name of (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine (CID 11406104) is (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine is C[C@H]1C=C(Sc2ccccc2)C[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine?
The InChIKey is AFFXHCGTEKXEBW-CPJSRVTESA-N. The full InChI is InChI=1S/C25H25NS/c1-20-17-24(27-23-15-9-4-10-16-23)18-25(22-13-7-3-8-14-22)26(20)19-21-11-5-2-6-12-21/h2-17,20,25H,18-19H2,1H3/t20-,25-/m0/s1.
What are the key properties of (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine?
(2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine has a molecular weight of 371.55 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1-benzyl-6-methyl-2-phenyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11406104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).