2-[2-[(S)-methylsulfinyl]ethyl]pyridine

C8H11NOS — CID 97301952

IUPAC2-[2-[(S)-methylsulfinyl]ethyl]pyridine
SMILESC[S@](=O)CCc1ccccn1
InChIInChI=1S/C8H11NOS/c1-11(10)7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3/t11-/m0/s1
InChIKeyFSDLCXBZJAANKQ-NSHDSACASA-N
MW169.25 g/mol
LogP1.00
Rot. Bonds3

About 2-[2-[(S)-methylsulfinyl]ethyl]pyridine

2-[2-[(S)-methylsulfinyl]ethyl]pyridine (PubChem CID 97301952) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-[2-[(S)-methylsulfinyl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[(S)-methylsulfinyl]ethyl]pyridine
PubChem CID97301952
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-[2-[(S)-methylsulfinyl]ethyl]pyridine
SMILESC[S@](=O)CCc1ccccn1
InChIInChI=1S/C8H11NOS/c1-11(10)7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3/t11-/m0/s1
InChIKeyFSDLCXBZJAANKQ-NSHDSACASA-N
XLogP1.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
CID 115632570
3-(2-pyridin-2-ylethylsulfinyl)butanoic acid
CID 66115725
2-(2-pyridin-2-ylethylsulfinyl)butanoic acid
CID 105355671
2-ethylpyridine;sulfurous acid
CID 174743952
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-pyridin-2-ylethyl hydrogen sulfite
CID 57284965
2-[2-(sulfinoamino)ethyl]pyridine
CID 68546056
2-(2-fluoroethyl)pyridine
CID 23246235
dimethyl(2-pyridin-2-ylethyl)indigane
CID 19877468
pyridin-2-ylmethanesulfinate
CID 57191587
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline
CID 81206702

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(S)-methylsulfinyl]ethyl]pyridine?
The IUPAC name of 2-[2-[(S)-methylsulfinyl]ethyl]pyridine (CID 97301952) is 2-[2-[(S)-methylsulfinyl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[(S)-methylsulfinyl]ethyl]pyridine?
The canonical SMILES for 2-[2-[(S)-methylsulfinyl]ethyl]pyridine is C[S@](=O)CCc1ccccn1.
What is the InChIKey of 2-[2-[(S)-methylsulfinyl]ethyl]pyridine?
The InChIKey is FSDLCXBZJAANKQ-NSHDSACASA-N. The full InChI is InChI=1S/C8H11NOS/c1-11(10)7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3/t11-/m0/s1.
What are the key properties of 2-[2-[(S)-methylsulfinyl]ethyl]pyridine?
2-[2-[(S)-methylsulfinyl]ethyl]pyridine has a molecular weight of 169.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(S)-methylsulfinyl]ethyl]pyridine is sourced from PubChem (CID 97301952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).