1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol

C18H19NS2 — CID 59155745

IUPAC1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol
SMILESCN1C(c2ccccc2)CC(S)=C(S)C1c1ccccc1
InChIInChI=1S/C18H19NS2/c1-19-15(13-8-4-2-5-9-13)12-16(20)18(21)17(19)14-10-6-3-7-11-14/h2-11,15,17,20-21H,12H2,1H3
InChIKeyPOOFCXDOXMAHJY-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.88
Rot. Bonds2

About 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol

1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol (PubChem CID 59155745) has the molecular formula C18H19NS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol.

Molecular Properties

Compound Name1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol
PubChem CID59155745
Molecular FormulaC18H19NS2
Molecular Weight313.49 g/mol
Exact Mass313.10
IUPAC Name1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol
SMILESCN1C(c2ccccc2)CC(S)=C(S)C1c1ccccc1
InChIInChI=1S/C18H19NS2/c1-19-15(13-8-4-2-5-9-13)12-16(20)18(21)17(19)14-10-6-3-7-11-14/h2-11,15,17,20-21H,12H2,1H3
InChIKeyPOOFCXDOXMAHJY-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 873157
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
1-methyl-6-phenylpiperidine-2,4-dione
CID 10035783
3-methyl-4-phenyl-1,3-oxazolidine
CID 19920145
1-methyl-2-phenylazetidine
CID 576373
1-methyl-2-phenylazepane
CID 23447707
(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
CID 11894630
1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol
CID 101004490
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638
1,2,2-trimethyl-5-phenylpyrrolidin-3-one
CID 6420665
(2S)-1,2-dimethyl-6-phenylpiperazine
CID 82403795
(2R)-1-chloro-2-phenylaziridine
CID 13129910

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol?
The IUPAC name of 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol (CID 59155745) is 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol.
What is the SMILES notation for 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol?
The canonical SMILES for 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol is CN1C(c2ccccc2)CC(S)=C(S)C1c1ccccc1.
What is the InChIKey of 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol?
The InChIKey is POOFCXDOXMAHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS2/c1-19-15(13-8-4-2-5-9-13)12-16(20)18(21)17(19)14-10-6-3-7-11-14/h2-11,15,17,20-21H,12H2,1H3.
What are the key properties of 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol?
1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol has a molecular weight of 313.49 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-diphenyl-3,6-dihydro-2H-pyridine-4,5-dithiol is sourced from PubChem (CID 59155745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).