N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide

C17H25N3O2S — CID 4247

IUPACN-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCCN)cccc12
InChIInChI=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
InChIKeyMLEBFEHOJICQQS-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.31
Rot. Bonds8

About N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 4247) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID4247
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCCN)cccc12
InChIInChI=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
InChIKeyMLEBFEHOJICQQS-UHFFFAOYSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 4247) is N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCCCCN)cccc12.
What is the InChIKey of N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is MLEBFEHOJICQQS-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 4247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).