3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide

C13H22N4O2S — CID 106030813

IUPAC3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2cccnc2)C1
InChIInChI=1S/C13H22N4O2S/c1-14-8-13-5-3-7-17(11-13)20(18,19)16-10-12-4-2-6-15-9-12/h2,4,6,9,13-14,16H,3,5,7-8,10-11H2,1H3
InChIKeySDJWGBZKGJSQRA-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.35
Rot. Bonds6

About 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide

3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106030813) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
PubChem CID106030813
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2cccnc2)C1
InChIInChI=1S/C13H22N4O2S/c1-14-8-13-5-3-7-17(11-13)20(18,19)16-10-12-4-2-6-15-9-12/h2,4,6,9,13-14,16H,3,5,7-8,10-11H2,1H3
InChIKeySDJWGBZKGJSQRA-UHFFFAOYSA-N
XLogP0.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106065622
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106093569
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106018117
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106022034
3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 95845766
3-(methylaminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 106017938

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide (CID 106030813) is 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCc2cccnc2)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is SDJWGBZKGJSQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-14-8-13-5-3-7-17(11-13)20(18,19)16-10-12-4-2-6-15-9-12/h2,4,6,9,13-14,16H,3,5,7-8,10-11H2,1H3.
What are the key properties of 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106030813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).