3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

C15H19N3O2S — CID 106055024

IUPAC3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(C)c(CN)c2)n1
InChIInChI=1S/C15H19N3O2S/c1-11-6-7-15(8-13(11)9-16)21(19,20)17-10-14-5-3-4-12(2)18-14/h3-8,17H,9-10,16H2,1-2H3
InChIKeyNEDNLIYKIMYSSH-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.64
Rot. Bonds5

About 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 106055024) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID106055024
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(C)c(CN)c2)n1
InChIInChI=1S/C15H19N3O2S/c1-11-6-7-15(8-13(11)9-16)21(19,20)17-10-14-5-3-4-12(2)18-14/h3-8,17H,9-10,16H2,1-2H3
InChIKeyNEDNLIYKIMYSSH-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 139174842
4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106996904
3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 106023385
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
3-(aminomethyl)-4-methyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 114141448
5-amino-2-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 80628498
N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
CID 62308229
3-(aminomethyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106106654
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
3-(aminomethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411175
3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 106088180
3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357481

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (CID 106055024) is 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(C)c(CN)c2)n1.
What is the InChIKey of 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is NEDNLIYKIMYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-6-7-15(8-13(11)9-16)21(19,20)17-10-14-5-3-4-12(2)18-14/h3-8,17H,9-10,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106055024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).