1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol

C15H23NOS2 — CID 115386529

IUPAC1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)C2SCCSC2CC)nc1
InChIInChI=1S/C15H23NOS2/c1-3-11-5-6-12(16-10-11)9-13(17)15-14(4-2)18-7-8-19-15/h5-6,10,13-15,17H,3-4,7-9H2,1-2H3
InChIKeyGILZZGCWWRLZAV-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.17
Rot. Bonds5

About 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 115386529) has the molecular formula C15H23NOS2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID115386529
Molecular FormulaC15H23NOS2
Molecular Weight297.49 g/mol
Exact Mass297.12
IUPAC Name1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)C2SCCSC2CC)nc1
InChIInChI=1S/C15H23NOS2/c1-3-11-5-6-12(16-10-11)9-13(17)15-14(4-2)18-7-8-19-15/h5-6,10,13-15,17H,3-4,7-9H2,1-2H3
InChIKeyGILZZGCWWRLZAV-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1,4-dithian-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82877907
1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115386540
1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115386438
2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
CID 115386430
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
1-(4-ethylmorpholin-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79745916
1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 107192689
2-(5-ethyl-2-pyridinyl)-1-pyridin-4-ylethanol
CID 79739696
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 103277576
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
CID 103456372
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 115386529) is 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)C2SCCSC2CC)nc1.
What is the InChIKey of 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is GILZZGCWWRLZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS2/c1-3-11-5-6-12(16-10-11)9-13(17)15-14(4-2)18-7-8-19-15/h5-6,10,13-15,17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 297.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 115386529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).