6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide

C15H19N3O2S — CID 114613243

IUPAC6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1cccc(CN(C)S(=O)(=O)c2ccc(CN)nc2)c1
InChIInChI=1S/C15H19N3O2S/c1-12-4-3-5-13(8-12)11-18(2)21(19,20)15-7-6-14(9-16)17-10-15/h3-8,10H,9,11,16H2,1-2H3
InChIKeyQJOSMKDBAOXZLD-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.67
Rot. Bonds5

About 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide

6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 114613243) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID114613243
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1cccc(CN(C)S(=O)(=O)c2ccc(CN)nc2)c1
InChIInChI=1S/C15H19N3O2S/c1-12-4-3-5-13(8-12)11-18(2)21(19,20)15-7-6-14(9-16)17-10-15/h3-8,10H,9,11,16H2,1-2H3
InChIKeyQJOSMKDBAOXZLD-UHFFFAOYSA-N
XLogP1.67
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide (CID 114613243) is 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide is Cc1cccc(CN(C)S(=O)(=O)c2ccc(CN)nc2)c1.
What is the InChIKey of 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is QJOSMKDBAOXZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-4-3-5-13(8-12)11-18(2)21(19,20)15-7-6-14(9-16)17-10-15/h3-8,10H,9,11,16H2,1-2H3.
What are the key properties of 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114613243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).