N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide

C20H32N4O2S — CID 12017350

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide
SMILESNCCCNCCCCNCCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H32N4O2S/c21-12-6-15-22-13-3-4-14-23-16-7-17-24-27(25,26)20-11-5-9-18-8-1-2-10-19(18)20/h1-2,5,8-11,22-24H,3-4,6-7,12-17,21H2
InChIKeyJQLJYUVNUKDSLO-UHFFFAOYSA-N
MW392.57 g/mol
LogP1.82
Rot. Bonds14

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide (PubChem CID 12017350) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide
PubChem CID12017350
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide
SMILESNCCCNCCCCNCCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H32N4O2S/c21-12-6-15-22-13-3-4-14-23-16-7-17-24-27(25,26)20-11-5-9-18-8-1-2-10-19(18)20/h1-2,5,8-11,22-24H,3-4,6-7,12-17,21H2
InChIKeyJQLJYUVNUKDSLO-UHFFFAOYSA-N
XLogP1.82
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide (CID 12017350) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide is NCCCNCCCCNCCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide?
The InChIKey is JQLJYUVNUKDSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c21-12-6-15-22-13-3-4-14-23-16-7-17-24-27(25,26)20-11-5-9-18-8-1-2-10-19(18)20/h1-2,5,8-11,22-24H,3-4,6-7,12-17,21H2.
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide has a molecular weight of 392.57 g/mol, XLogP of 1.82, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 12017350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).