6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide

C15H19N3O2S — CID 114613294

IUPAC6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C15H19N3O2S/c1-11-5-3-4-6-15(11)12(2)18-21(19,20)14-8-7-13(9-16)17-10-14/h3-8,10,12,18H,9,16H2,1-2H3
InChIKeyIROZWGWMSWWRLU-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.89
Rot. Bonds5

About 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide

6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 114613294) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID114613294
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C15H19N3O2S/c1-11-5-3-4-6-15(11)12(2)18-21(19,20)14-8-7-13(9-16)17-10-14/h3-8,10,12,18H,9,16H2,1-2H3
InChIKeyIROZWGWMSWWRLU-UHFFFAOYSA-N
XLogP1.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 62157966
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 64607227
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 114613735
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide
CID 114613769
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
6-(aminomethyl)-N-(1-cyclopentylethyl)pyridine-3-sulfonamide
CID 114613542
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide
CID 114613286

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide (CID 114613294) is 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide is Cc1ccccc1C(C)NS(=O)(=O)c1ccc(CN)nc1.
What is the InChIKey of 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is IROZWGWMSWWRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-5-3-4-6-15(11)12(2)18-21(19,20)14-8-7-13(9-16)17-10-14/h3-8,10,12,18H,9,16H2,1-2H3.
What are the key properties of 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114613294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).