5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide

C13H16N4O2S — CID 106022983

IUPAC5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)cn1)c1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-10(12-4-2-3-7-15-12)17-20(18,19)13-6-5-11(8-14)9-16-13/h2-7,9-10,17H,8,14H2,1H3
InChIKeyCHGJYNBWZRLKEW-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.97
Rot. Bonds5

About 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide (PubChem CID 106022983) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide
PubChem CID106022983
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)cn1)c1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-10(12-4-2-3-7-15-12)17-20(18,19)13-6-5-11(8-14)9-16-13/h2-7,9-10,17H,8,14H2,1H3
InChIKeyCHGJYNBWZRLKEW-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-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
5-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-sulfonamide
CID 106218530
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 43524541
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022849
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 61299506
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide (CID 106022983) is 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide is CC(NS(=O)(=O)c1ccc(CN)cn1)c1ccccn1.
What is the InChIKey of 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide?
The InChIKey is CHGJYNBWZRLKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10(12-4-2-3-7-15-12)17-20(18,19)13-6-5-11(8-14)9-16-13/h2-7,9-10,17H,8,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-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 5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106022983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).