3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide

C13H22N4O2S — CID 106021797

IUPAC3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCC(CN)C1)c1ccncc1
InChIInChI=1S/C13H22N4O2S/c1-11(13-4-6-15-7-5-13)16-20(18,19)17-8-2-3-12(9-14)10-17/h4-7,11-12,16H,2-3,8-10,14H2,1H3
InChIKeyDUNDILAVARUPPL-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.65
Rot. Bonds5

About 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide

3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide (PubChem CID 106021797) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
PubChem CID106021797
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCC(CN)C1)c1ccncc1
InChIInChI=1S/C13H22N4O2S/c1-11(13-4-6-15-7-5-13)16-20(18,19)17-8-2-3-12(9-14)10-17/h4-7,11-12,16H,2-3,8-10,14H2,1H3
InChIKeyDUNDILAVARUPPL-UHFFFAOYSA-N
XLogP0.65
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106022034
4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218488
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692
3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
CID 134060163
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine
CID 71638340
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
CID 106002812
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide (CID 106021797) is 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide is CC(NS(=O)(=O)N1CCCC(CN)C1)c1ccncc1.
What is the InChIKey of 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide?
The InChIKey is DUNDILAVARUPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-11(13-4-6-15-7-5-13)16-20(18,19)17-8-2-3-12(9-14)10-17/h4-7,11-12,16H,2-3,8-10,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106021797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).