2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide

C12H23N5O2S — CID 106092025

IUPAC2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1cnn(CCNS(=O)(=O)N2CCCCC2CN)c1
InChIInChI=1S/C12H23N5O2S/c1-11-9-14-16(10-11)7-5-15-20(18,19)17-6-3-2-4-12(17)8-13/h9-10,12,15H,2-8,13H2,1H3
InChIKeyCEJZKUDJACWEDE-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.16
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106092025) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106092025
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1cnn(CCNS(=O)(=O)N2CCCCC2CN)c1
InChIInChI=1S/C12H23N5O2S/c1-11-9-14-16(10-11)7-5-15-20(18,19)17-6-3-2-4-12(17)8-13/h9-10,12,15H,2-8,13H2,1H3
InChIKeyCEJZKUDJACWEDE-UHFFFAOYSA-N
XLogP-0.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide (CID 106092025) is 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide is Cc1cnn(CCNS(=O)(=O)N2CCCCC2CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is CEJZKUDJACWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-11-9-14-16(10-11)7-5-15-20(18,19)17-6-3-2-4-12(17)8-13/h9-10,12,15H,2-8,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106092025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).