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

C15H19N3O2S — CID 106996904

IUPAC4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(CN)cc2C)n1
InChIInChI=1S/C15H19N3O2S/c1-11-8-13(9-16)6-7-15(11)21(19,20)17-10-14-5-3-4-12(2)18-14/h3-8,17H,9-10,16H2,1-2H3
InChIKeyKVKXXLYPVSNFLT-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.64
Rot. Bonds5

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

4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 106996904) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID106996904
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(CN)cc2C)n1
InChIInChI=1S/C15H19N3O2S/c1-11-8-13(9-16)6-7-15(11)21(19,20)17-10-14-5-3-4-12(2)18-14/h3-8,17H,9-10,16H2,1-2H3
InChIKeyKVKXXLYPVSNFLT-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-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
5-amino-2-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 80628498
3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106055024
2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 47305613
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 139174842
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
5-bromo-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62308940
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (CID 106996904) is 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(CN)cc2C)n1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is KVKXXLYPVSNFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-8-13(9-16)6-7-15(11)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 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
4-(aminomethyl)-2-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 4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106996904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).