2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine

C14H16N2S — CID 15893453

IUPAC2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
SMILESC[C@@H](S[C@H](C)c1ccccn1)c1ccccn1
InChIInChI=1S/C14H16N2S/c1-11(13-7-3-5-9-15-13)17-12(2)14-8-4-6-10-16-14/h3-12H,1-2H3/t11-,12-/m1/s1
InChIKeyVRGVQENJPOUMKN-VXGBXAGGSA-N
MW244.36 g/mol
LogP4.03
Rot. Bonds4

About 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine

2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine (PubChem CID 15893453) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine.

Molecular Properties

Compound Name2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
PubChem CID15893453
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
SMILESC[C@@H](S[C@H](C)c1ccccn1)c1ccccn1
InChIInChI=1S/C14H16N2S/c1-11(13-7-3-5-9-15-13)17-12(2)14-8-4-6-10-16-14/h3-12H,1-2H3/t11-,12-/m1/s1
InChIKeyVRGVQENJPOUMKN-VXGBXAGGSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71320210
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine?
The IUPAC name of 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine (CID 15893453) is 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine.
What is the SMILES notation for 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine?
The canonical SMILES for 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine is C[C@@H](S[C@H](C)c1ccccn1)c1ccccn1.
What is the InChIKey of 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine?
The InChIKey is VRGVQENJPOUMKN-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11(13-7-3-5-9-15-13)17-12(2)14-8-4-6-10-16-14/h3-12H,1-2H3/t11-,12-/m1/s1.
What are the key properties of 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine?
2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine has a molecular weight of 244.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine is sourced from PubChem (CID 15893453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).