(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol

C19H17NOS — CID 102509250

IUPAC(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](Sc1ccccn1)c1ccccc1
InChIInChI=1S/C19H17NOS/c21-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)22-17-13-7-8-14-20-17/h1-14,18-19,21H/t18-,19-/m0/s1
InChIKeyRPEYRYMLBDOAKG-OALUTQOASA-N
MW307.42 g/mol
LogP4.65
Rot. Bonds5

About (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol

(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol (PubChem CID 102509250) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol.

Molecular Properties

Compound Name(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol
PubChem CID102509250
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](Sc1ccccn1)c1ccccc1
InChIInChI=1S/C19H17NOS/c21-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)22-17-13-7-8-14-20-17/h1-14,18-19,21H/t18-,19-/m0/s1
InChIKeyRPEYRYMLBDOAKG-OALUTQOASA-N
XLogP4.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-pyridin-2-ylsulfanylacetic acid
CID 18073234
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663
1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine
CID 55014840
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 146163389
3-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61261842
1,2-diphenylethane-1,2-diol
CID 159073808
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948
2-hydroxysulfanylpyridine
CID 12046445
(2R,3R)-4-pyridin-2-ylsulfanylbutane-1,2,3-triol
CID 69497472
2-ethylsulfanyl-1,2-diphenylethanol
CID 11242365
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol?
The IUPAC name of (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol (CID 102509250) is (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol.
What is the SMILES notation for (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol?
The canonical SMILES for (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol is O[C@@H](c1ccccc1)[C@@H](Sc1ccccn1)c1ccccc1.
What is the InChIKey of (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol?
The InChIKey is RPEYRYMLBDOAKG-OALUTQOASA-N. The full InChI is InChI=1S/C19H17NOS/c21-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)22-17-13-7-8-14-20-17/h1-14,18-19,21H/t18-,19-/m0/s1.
What are the key properties of (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol?
(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol has a molecular weight of 307.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol is sourced from PubChem (CID 102509250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).