(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol

C16H19NOS — CID 103939422

IUPAC(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(SCc2cccc(C)c2)cn1
InChIInChI=1S/C16H19NOS/c1-3-16(18)15-8-7-14(10-17-15)19-11-13-6-4-5-12(2)9-13/h4-10,16,18H,3,11H2,1-2H3/t16-/m1/s1
InChIKeyFCKJSAQKSMLZBK-MRXNPFEDSA-N
MW273.40 g/mol
LogP4.13
Rot. Bonds5

About (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol

(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol (PubChem CID 103939422) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol
PubChem CID103939422
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(SCc2cccc(C)c2)cn1
InChIInChI=1S/C16H19NOS/c1-3-16(18)15-8-7-14(10-17-15)19-11-13-6-4-5-12(2)9-13/h4-10,16,18H,3,11H2,1-2H3/t16-/m1/s1
InChIKeyFCKJSAQKSMLZBK-MRXNPFEDSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
CID 112585115
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448
N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83123426
(1S)-1-[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]ethanol
CID 83129531
1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanone
CID 83120077
2-(3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81318745
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(1S)-1-[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83123831
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol (CID 103939422) is (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(SCc2cccc(C)c2)cn1.
What is the InChIKey of (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol?
The InChIKey is FCKJSAQKSMLZBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-16(18)15-8-7-14(10-17-15)19-11-13-6-4-5-12(2)9-13/h4-10,16,18H,3,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol?
(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol has a molecular weight of 273.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103939422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).