(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol

C15H17NOS — CID 113355448

IUPAC(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(SCc2ccccc2)cn1
InChIInChI=1S/C15H17NOS/c1-2-15(17)14-9-8-13(10-16-14)18-11-12-6-4-3-5-7-12/h3-10,15,17H,2,11H2,1H3/t15-/m0/s1
InChIKeyRLRKXQCQLBUEPZ-HNNXBMFYSA-N
MW259.37 g/mol
LogP3.82
Rot. Bonds5

About (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol

(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol (PubChem CID 113355448) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
PubChem CID113355448
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(SCc2ccccc2)cn1
InChIInChI=1S/C15H17NOS/c1-2-15(17)14-9-8-13(10-16-14)18-11-12-6-4-3-5-7-12/h3-10,15,17H,2,11H2,1H3/t15-/m0/s1
InChIKeyRLRKXQCQLBUEPZ-HNNXBMFYSA-N
XLogP3.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol
CID 103939422
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide
CID 114234906
(1S)-1-[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]ethanol
CID 83129531
1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
CID 112585115
1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586546
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
CID 83128388
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
CID 115941653

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol?
The IUPAC name of (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol (CID 113355448) is (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol is CC[C@H](O)c1ccc(SCc2ccccc2)cn1.
What is the InChIKey of (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol?
The InChIKey is RLRKXQCQLBUEPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-15(17)14-9-8-13(10-16-14)18-11-12-6-4-3-5-7-12/h3-10,15,17H,2,11H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol?
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol has a molecular weight of 259.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 113355448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).