2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

C17H30N4O2S — CID 46976880

IUPAC2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCC1CCN(CCC2CCCCN2S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C17H30N4O2S/c1-15-6-10-20(11-7-15)12-8-16-5-3-4-9-21(16)24(22,23)17-13-18-19(2)14-17/h13-16H,3-12H2,1-2H3
InChIKeyJFAIBSCIRBUTKI-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 46976880) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
PubChem CID46976880
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCC1CCN(CCC2CCCCN2S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C17H30N4O2S/c1-15-6-10-20(11-7-15)12-8-16-5-3-4-9-21(16)24(22,23)17-13-18-19(2)14-17/h13-16H,3-12H2,1-2H3
InChIKeyJFAIBSCIRBUTKI-UHFFFAOYSA-N
XLogP2.09
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (CID 46976880) is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is CC1CCN(CCC2CCCCN2S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is JFAIBSCIRBUTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-15-6-10-20(11-7-15)12-8-16-5-3-4-9-21(16)24(22,23)17-13-18-19(2)14-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 354.52 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 46976880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).