N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide

C16H23N3O2S — CID 14656966

IUPACN-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCN)cccc12
InChIInChI=1S/C16H23N3O2S/c1-19(2)15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)18-12-4-3-11-17/h5-10,18H,3-4,11-12,17H2,1-2H3
InChIKeySMMHFECDAYBWCY-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.92
Rot. Bonds7

About N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 14656966) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID14656966
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCN)cccc12
InChIInChI=1S/C16H23N3O2S/c1-19(2)15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)18-12-4-3-11-17/h5-10,18H,3-4,11-12,17H2,1-2H3
InChIKeySMMHFECDAYBWCY-UHFFFAOYSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
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-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752
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-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 155460184
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide
CID 10981814

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 14656966) is N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCCCN)cccc12.
What is the InChIKey of N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is SMMHFECDAYBWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-19(2)15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)18-12-4-3-11-17/h5-10,18H,3-4,11-12,17H2,1-2H3.
What are the key properties of N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 14656966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).