Molecule ID: 4247

IUPAC Name: N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide

Description: The molecule is a sulfonamide obtained by formal condensation of the sulfo group of 5-(dimethylamino)naphthalene-1-sulfonic acid with one of the amino groups of cadaverine. It has a role as a fluorochrome, a protective agent and an EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor. It is a sulfonamide, an aminonaphthalene, a tertiary amino compound and a primary amino compound. It derives from a cadaverine.

SMILES: CN(C)c1cccc2c(S(=O)(=O)NCCCCCN)cccc12

SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][N][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S]

InChI: InChI=1S/C17H25N3O2S/c1-20(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)19-13-5-3-4-12-18/h6-11,19H,3-5,12-13,18H2,1-2H3

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 2.5