2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine

C17H20N2O2S — CID 118715853

IUPAC2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H20N2O2S/c1-14-10-12-19(13-11-14)22(20,21)17-9-5-8-16(18-17)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3
InChIKeyBCTYOAAXWLRPST-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine

2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine (PubChem CID 118715853) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine
PubChem CID118715853
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H20N2O2S/c1-14-10-12-19(13-11-14)22(20,21)17-9-5-8-16(18-17)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3
InChIKeyBCTYOAAXWLRPST-UHFFFAOYSA-N
XLogP3.17
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.17
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-phenylpyridine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine (CID 118715853) is 2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine is CC1CCN(S(=O)(=O)c2cccc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine?
The InChIKey is BCTYOAAXWLRPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-14-10-12-19(13-11-14)22(20,21)17-9-5-8-16(18-17)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine?
2-(4-methylpiperidin-1-yl)sulfonyl-6-phenylpyridine has a molecular weight of 316.43 g/mol, XLogP of 3.17, 3 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-phenylpyridine is sourced from PubChem (CID 118715853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).