1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

C17H21NOS — CID 79745363

IUPAC1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccccc2C)nc1
InChIInChI=1S/C17H21NOS/c1-3-14-8-9-15(18-11-14)10-16(19)12-20-17-7-5-4-6-13(17)2/h4-9,11,16,19H,3,10,12H2,1-2H3
InChIKeyIEWUSVZINIRYKG-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.65
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol

1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 79745363) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID79745363
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccccc2C)nc1
InChIInChI=1S/C17H21NOS/c1-3-14-8-9-15(18-11-14)10-16(19)12-20-17-7-5-4-6-13(17)2/h4-9,11,16,19H,3,10,12H2,1-2H3
InChIKeyIEWUSVZINIRYKG-UHFFFAOYSA-N
XLogP3.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 79745838
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79739903
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898
2-(5-ethyl-2-pyridinyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822367
2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511
1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822400

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 79745363) is 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is CCc1ccc(CC(O)CSc2ccccc2C)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is IEWUSVZINIRYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-14-8-9-15(18-11-14)10-16(19)12-20-17-7-5-4-6-13(17)2/h4-9,11,16,19H,3,10,12H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 287.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 79745363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).