3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C15H19N3O2S — CID 106021295

IUPAC3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)NC(C)c1cccnc1
InChIInChI=1S/C15H19N3O2S/c1-11-13(9-16)5-3-7-15(11)21(19,20)18-12(2)14-6-4-8-17-10-14/h3-8,10,12,18H,9,16H2,1-2H3
InChIKeySEKFQUJLIGGHBH-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.89
Rot. Bonds5

About 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide

3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 106021295) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID106021295
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)NC(C)c1cccnc1
InChIInChI=1S/C15H19N3O2S/c1-11-13(9-16)5-3-7-15(11)21(19,20)18-12(2)14-6-4-8-17-10-14/h3-8,10,12,18H,9,16H2,1-2H3
InChIKeySEKFQUJLIGGHBH-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

2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021137
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
2-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523803
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 43523626
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 106021295) is 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide is Cc1c(CN)cccc1S(=O)(=O)NC(C)c1cccnc1.
What is the InChIKey of 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is SEKFQUJLIGGHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-13(9-16)5-3-7-15(11)21(19,20)18-12(2)14-6-4-8-17-10-14/h3-8,10,12,18H,9,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide 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 3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106021295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).