5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide

C12H15N3O2S2 — CID 106050116

IUPAC5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2ccsc2)nc1
InChIInChI=1S/C12H15N3O2S2/c13-7-11-1-2-12(14-8-11)19(16,17)15-5-3-10-4-6-18-9-10/h1-2,4,6,8-9,15H,3,5,7,13H2
InChIKeyPBDHQOAQFPIOIF-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.12
Rot. Bonds6

About 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide (PubChem CID 106050116) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide
PubChem CID106050116
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2ccsc2)nc1
InChIInChI=1S/C12H15N3O2S2/c13-7-11-1-2-12(14-8-11)19(16,17)15-5-3-10-4-6-18-9-10/h1-2,4,6,8-9,15H,3,5,7,13H2
InChIKeyPBDHQOAQFPIOIF-UHFFFAOYSA-N
XLogP1.12
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136
N-(2-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47372092
1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 106049833
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049882
5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 61477775
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide
CID 114141679
2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 54953527
5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide
CID 106054447
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide (CID 106050116) is 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide is NCc1ccc(S(=O)(=O)NCCc2ccsc2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide?
The InChIKey is PBDHQOAQFPIOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c13-7-11-1-2-12(14-8-11)19(16,17)15-5-3-10-4-6-18-9-10/h1-2,4,6,8-9,15H,3,5,7,13H2.
What are the key properties of 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106050116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).