N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide

C23H38N4O2S — CID 58260368

IUPACN-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCNCCCCCCCCN)cccc12
InChIInChI=1S/C23H38N4O2S/c1-27(2)22-14-9-13-21-20(22)12-10-15-23(21)30(28,29)26-19-11-18-25-17-8-6-4-3-5-7-16-24/h9-10,12-15,25-26H,3-8,11,16-19,24H2,1-2H3
InChIKeyVTNHJURBZJPLLL-UHFFFAOYSA-N
MW434.65 g/mol
LogP3.46
Rot. Bonds15

About N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide

N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 58260368) has the molecular formula C23H38N4O2S and a molecular weight of 434.65 g/mol. Its IUPAC name is N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID58260368
Molecular FormulaC23H38N4O2S
Molecular Weight434.65 g/mol
Exact Mass434.27
IUPAC NameN-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCNCCCCCCCCN)cccc12
InChIInChI=1S/C23H38N4O2S/c1-27(2)22-14-9-13-21-20(22)12-10-15-23(21)30(28,29)26-19-11-18-25-17-8-6-4-3-5-7-16-24/h9-10,12-15,25-26H,3-8,11,16-19,24H2,1-2H3
InChIKeyVTNHJURBZJPLLL-UHFFFAOYSA-N
XLogP3.46
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.65
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142573981
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
N-[3-[4-[3-(diaminomethylideneamino)propylamino]butylamino]propyl]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanamide
CID 70658039
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide
CID 58260289
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide (CID 58260368) is N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCCNCCCCCCCCN)cccc12.
What is the InChIKey of N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is VTNHJURBZJPLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2S/c1-27(2)22-14-9-13-21-20(22)12-10-15-23(21)30(28,29)26-19-11-18-25-17-8-6-4-3-5-7-16-24/h9-10,12-15,25-26H,3-8,11,16-19,24H2,1-2H3.
What are the key properties of N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 434.65 g/mol, XLogP of 3.46, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 58260368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).