2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide

C12H23N5O2S — CID 106054632

IUPAC2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C12H23N5O2S/c1-13-11-12-5-2-3-9-17(12)20(18,19)15-7-10-16-8-4-6-14-16/h4,6,8,12-13,15H,2-3,5,7,9-11H2,1H3
InChIKeyCHEXBWUWNBCWAF-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.21
Rot. Bonds7

About 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide

2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide (PubChem CID 106054632) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
PubChem CID106054632
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C12H23N5O2S/c1-13-11-12-5-2-3-9-17(12)20(18,19)15-7-10-16-8-4-6-14-16/h4,6,8,12-13,15H,2-3,5,7,9-11H2,1H3
InChIKeyCHEXBWUWNBCWAF-UHFFFAOYSA-N
XLogP-0.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 119928529
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
1-(2-pyrazol-1-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 61462648
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-sulfonamide
CID 106092025
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
(2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide
CID 95716429
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016123
N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106017718
1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 103302482

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide (CID 106054632) is 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)NCCn1cccn1.
What is the InChIKey of 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide?
The InChIKey is CHEXBWUWNBCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-13-11-12-5-2-3-9-17(12)20(18,19)15-7-10-16-8-4-6-14-16/h4,6,8,12-13,15H,2-3,5,7,9-11H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide?
2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106054632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).