2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine

C16H26N2O2S — CID 154780977

IUPAC2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine
SMILESCC(C)Cc1ccc(CN2CCCC(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C16H26N2O2S/c1-13(2)9-15-7-6-14(10-17-15)11-18-8-4-5-16(12-18)21(3,19)20/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3
InChIKeyRYEZPIXJNXLAGW-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.29
Rot. Bonds5

About 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine

2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine (PubChem CID 154780977) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine
PubChem CID154780977
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine
SMILESCC(C)Cc1ccc(CN2CCCC(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C16H26N2O2S/c1-13(2)9-15-7-6-14(10-17-15)11-18-8-4-5-16(12-18)21(3,19)20/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3
InChIKeyRYEZPIXJNXLAGW-UHFFFAOYSA-N
XLogP2.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine (CID 154780977) is 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine is CC(C)Cc1ccc(CN2CCCC(S(C)(=O)=O)C2)cn1.
What is the InChIKey of 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine?
The InChIKey is RYEZPIXJNXLAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)9-15-7-6-14(10-17-15)11-18-8-4-5-16(12-18)21(3,19)20/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine?
2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine has a molecular weight of 310.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 154780977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).