1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine

C12H15NS — CID 10465560

IUPAC1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Sc2ccccc2)CC1
InChIInChI=1S/C12H15NS/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKeyPTPLGUWNXUCGAH-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.00
Rot. Bonds2

About 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine

1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine (PubChem CID 10465560) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
PubChem CID10465560
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Sc2ccccc2)CC1
InChIInChI=1S/C12H15NS/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKeyPTPLGUWNXUCGAH-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine (CID 10465560) is 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine is CN1CC=C(Sc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine?
The InChIKey is PTPLGUWNXUCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3.
What are the key properties of 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine?
1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine has a molecular weight of 205.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10465560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).