4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine

C15H17NO2S — CID 99794986

IUPAC4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine
SMILESCC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccncc1
InChIInChI=1S/C15H17NO2S/c1-2-15(14-6-4-3-5-7-14)19(17,18)12-13-8-10-16-11-9-13/h3-11,15H,2,12H2,1H3/t15-/m0/s1
InChIKeyOOKBQHWQDMWPKO-HNNXBMFYSA-N
MW275.37 g/mol
LogP3.15
Rot. Bonds5

About 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine

4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine (PubChem CID 99794986) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine.

Molecular Properties

Compound Name4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine
PubChem CID99794986
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine
SMILESCC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccncc1
InChIInChI=1S/C15H17NO2S/c1-2-15(14-6-4-3-5-7-14)19(17,18)12-13-8-10-16-11-9-13/h3-11,15H,2,12H2,1H3/t15-/m0/s1
InChIKeyOOKBQHWQDMWPKO-HNNXBMFYSA-N
XLogP3.15
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine?
The IUPAC name of 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine (CID 99794986) is 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine.
What is the SMILES notation for 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine?
The canonical SMILES for 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine is CC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccncc1.
What is the InChIKey of 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine?
The InChIKey is OOKBQHWQDMWPKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-15(14-6-4-3-5-7-14)19(17,18)12-13-8-10-16-11-9-13/h3-11,15H,2,12H2,1H3/t15-/m0/s1.
What are the key properties of 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine?
4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine has a molecular weight of 275.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-phenylpropyl]sulfonylmethyl]pyridine is sourced from PubChem (CID 99794986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).