2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine

C18H20N6O2S — CID 122694194

IUPAC2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H20N6O2S/c1-27(25,26)18-16(17-21-23-24-22-17)15(8-11-20-18)14-4-2-12(3-5-14)13-6-9-19-10-7-13/h2-5,8,11,13,19H,6-7,9-10H2,1H3,(H,21,22,23,24)
InChIKeyZDMOIIIYJGBDJV-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.80
Rot. Bonds4

About 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine

2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 122694194) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
PubChem CID122694194
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H20N6O2S/c1-27(25,26)18-16(17-21-23-24-22-17)15(8-11-20-18)14-4-2-12(3-5-14)13-6-9-19-10-7-13/h2-5,8,11,13,19H,6-7,9-10H2,1H3,(H,21,22,23,24)
InChIKeyZDMOIIIYJGBDJV-UHFFFAOYSA-N
XLogP1.80
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine (CID 122694194) is 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine is CS(=O)(=O)c1nccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is ZDMOIIIYJGBDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-27(25,26)18-16(17-21-23-24-22-17)15(8-11-20-18)14-4-2-12(3-5-14)13-6-9-19-10-7-13/h2-5,8,11,13,19H,6-7,9-10H2,1H3,(H,21,22,23,24).
What are the key properties of 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine?
2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 384.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 122694194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).