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

C15H20N2O2S — CID 51703058

IUPACN-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H20N2O2S/c1-17(2)12-6-11-16-20(18,19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16H,6,11-12H2,1-2H3
InChIKeyZYFJSRNGAHCSAG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.07
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide (PubChem CID 51703058) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide
PubChem CID51703058
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H20N2O2S/c1-17(2)12-6-11-16-20(18,19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16H,6,11-12H2,1-2H3
InChIKeyZYFJSRNGAHCSAG-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(dimethylamino)propyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide (CID 51703058) is N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide is CN(C)CCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide?
The InChIKey is ZYFJSRNGAHCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-17(2)12-6-11-16-20(18,19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16H,6,11-12H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide?
N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 51703058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).