2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine

C19H24N2O2S — CID 91002115

IUPAC2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine
SMILESCCc1ncccc1N1CCC(S(=O)c2ccccc2OC)CC1
InChIInChI=1S/C19H24N2O2S/c1-3-16-17(7-6-12-20-16)21-13-10-15(11-14-21)24(22)19-9-5-4-8-18(19)23-2/h4-9,12,15H,3,10-11,13-14H2,1-2H3
InChIKeyVSIYIJNXGXPHOF-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.43
Rot. Bonds5

About 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine

2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine (PubChem CID 91002115) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine
PubChem CID91002115
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine
SMILESCCc1ncccc1N1CCC(S(=O)c2ccccc2OC)CC1
InChIInChI=1S/C19H24N2O2S/c1-3-16-17(7-6-12-20-16)21-13-10-15(11-14-21)24(22)19-9-5-4-8-18(19)23-2/h4-9,12,15H,3,10-11,13-14H2,1-2H3
InChIKeyVSIYIJNXGXPHOF-UHFFFAOYSA-N
XLogP3.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine
CID 91229627
ethane;2-ethyl-3-methoxypyridine
CID 144504427
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 126776510
1-(2-methoxy-3-pyridinyl)piperidin-4-ol
CID 172613587
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 163345314
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
3-methoxy-2-(piperidin-4-ylmethyl)pyridine
CID 103840872
2-ethyl-3-(methoxymethoxy)pyridine
CID 20598170

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine?
The IUPAC name of 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine (CID 91002115) is 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine.
What is the SMILES notation for 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine?
The canonical SMILES for 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine is CCc1ncccc1N1CCC(S(=O)c2ccccc2OC)CC1.
What is the InChIKey of 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine?
The InChIKey is VSIYIJNXGXPHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-16-17(7-6-12-20-16)21-13-10-15(11-14-21)24(22)19-9-5-4-8-18(19)23-2/h4-9,12,15H,3,10-11,13-14H2,1-2H3.
What are the key properties of 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine?
2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine has a molecular weight of 344.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-(2-methoxyphenyl)sulfinylpiperidin-1-yl]pyridine is sourced from PubChem (CID 91002115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).