3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine

C19H24N2O2S — CID 4563535

IUPAC3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)c(C)c1C
InChIInChI=1S/C19H24N2O2S/c1-14-9-10-19(16(3)15(14)2)24(22,23)21-12-5-4-8-18(21)17-7-6-11-20-13-17/h6-7,9-11,13,18H,4-5,8,12H2,1-3H3
InChIKeyCAKYMEZSBJGTDN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.92
Rot. Bonds3

About 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine

3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine (PubChem CID 4563535) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine
PubChem CID4563535
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)c(C)c1C
InChIInChI=1S/C19H24N2O2S/c1-14-9-10-19(16(3)15(14)2)24(22,23)21-12-5-4-8-18(21)17-7-6-11-20-13-17/h6-7,9-11,13,18H,4-5,8,12H2,1-3H3
InChIKeyCAKYMEZSBJGTDN-UHFFFAOYSA-N
XLogP3.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine?
The IUPAC name of 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine (CID 4563535) is 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine is Cc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)c(C)c1C.
What is the InChIKey of 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine?
The InChIKey is CAKYMEZSBJGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-9-10-19(16(3)15(14)2)24(22,23)21-12-5-4-8-18(21)17-7-6-11-20-13-17/h6-7,9-11,13,18H,4-5,8,12H2,1-3H3.
What are the key properties of 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine?
3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine has a molecular weight of 344.48 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3,4-trimethylphenyl)sulfonylpiperidin-2-yl]pyridine is sourced from PubChem (CID 4563535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).