2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide

C15H19N3O2S — CID 106593798

IUPAC2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C15H19N3O2S/c1-2-18(12-13-7-4-3-5-8-13)21(19,20)15-9-6-10-17-14(15)11-16/h3-10H,2,11-12,16H2,1H3
InChIKeyJYFUVGMFFTWMLW-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.75
Rot. Bonds6

About 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide

2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide (PubChem CID 106593798) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
PubChem CID106593798
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C15H19N3O2S/c1-2-18(12-13-7-4-3-5-8-13)21(19,20)15-9-6-10-17-14(15)11-16/h3-10H,2,11-12,16H2,1H3
InChIKeyJYFUVGMFFTWMLW-UHFFFAOYSA-N
XLogP1.75
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 106593972
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
CID 106594050
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 106594258
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 65428769
2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 106593839
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide (CID 106593798) is 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide?
The InChIKey is JYFUVGMFFTWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-18(12-13-7-4-3-5-8-13)21(19,20)15-9-6-10-17-14(15)11-16/h3-10H,2,11-12,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide?
2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 106593798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).