6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide

C13H16N4O2S — CID 114613153

IUPAC6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)nc1)c1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-10(13-4-2-3-7-15-13)17-20(18,19)12-6-5-11(8-14)16-9-12/h2-7,9-10,17H,8,14H2,1H3
InChIKeyOOBZIILQFRZXQN-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.97
Rot. Bonds5

About 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide (PubChem CID 114613153) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
PubChem CID114613153
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)nc1)c1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-10(13-4-2-3-7-15-13)17-20(18,19)12-6-5-11(8-14)16-9-12/h2-7,9-10,17H,8,14H2,1H3
InChIKeyOOBZIILQFRZXQN-UHFFFAOYSA-N
XLogP0.97
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 43524541
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022849
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide
CID 106022983
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 114613735
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide (CID 114613153) is 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(CN)nc1)c1ccccn1.
What is the InChIKey of 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide?
The InChIKey is OOBZIILQFRZXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10(13-4-2-3-7-15-13)17-20(18,19)12-6-5-11(8-14)16-9-12/h2-7,9-10,17H,8,14H2,1H3.
What are the key properties of 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).