2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine

C20H26N2O2S — CID 58210955

IUPAC2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)C)cc3)n2)CC1
InChIInChI=1S/C20H26N2O2S/c1-15(2)17-7-9-18(10-8-17)19-5-4-6-20(21-19)25(23,24)22-13-11-16(3)12-14-22/h4-10,15-16H,11-14H2,1-3H3
InChIKeyRCRIHMQHFVBHOB-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.29
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine

2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine (PubChem CID 58210955) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine
PubChem CID58210955
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)C)cc3)n2)CC1
InChIInChI=1S/C20H26N2O2S/c1-15(2)17-7-9-18(10-8-17)19-5-4-6-20(21-19)25(23,24)22-13-11-16(3)12-14-22/h4-10,15-16H,11-14H2,1-3H3
InChIKeyRCRIHMQHFVBHOB-UHFFFAOYSA-N
XLogP4.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine (CID 58210955) is 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine is CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C(C)C)cc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine?
The InChIKey is RCRIHMQHFVBHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15(2)17-7-9-18(10-8-17)19-5-4-6-20(21-19)25(23,24)22-13-11-16(3)12-14-22/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine?
2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine has a molecular weight of 358.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 58210955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).