4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol

C16H23NOS — CID 144774562

IUPAC4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol
SMILESCC(C)CN1C=C(Sc2ccccc2)C(C)(O)CC1
InChIInChI=1S/C16H23NOS/c1-13(2)11-17-10-9-16(3,18)15(12-17)19-14-7-5-4-6-8-14/h4-8,12-13,18H,9-11H2,1-3H3
InChIKeyJEXDCYBJOQLBFD-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.73
Rot. Bonds4

About 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol

4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol (PubChem CID 144774562) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol
PubChem CID144774562
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol
SMILESCC(C)CN1C=C(Sc2ccccc2)C(C)(O)CC1
InChIInChI=1S/C16H23NOS/c1-13(2)11-17-10-9-16(3,18)15(12-17)19-14-7-5-4-6-8-14/h4-8,12-13,18H,9-11H2,1-3H3
InChIKeyJEXDCYBJOQLBFD-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol (CID 144774562) is 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol is CC(C)CN1C=C(Sc2ccccc2)C(C)(O)CC1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol?
The InChIKey is JEXDCYBJOQLBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-13(2)11-17-10-9-16(3,18)15(12-17)19-14-7-5-4-6-8-14/h4-8,12-13,18H,9-11H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol?
4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol has a molecular weight of 277.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-5-phenylsulfanyl-2,3-dihydropyridin-4-ol is sourced from PubChem (CID 144774562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).