N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine

C23H24N2O3S — CID 153112192

IUPACN,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)C(S(=O)(=O)c1cccc3ccccc13)=NC2
InChIInChI=1S/C23H24N2O3S/c1-25(2)13-6-14-28-19-12-11-18-16-24-23(21(18)15-19)29(26,27)22-10-5-8-17-7-3-4-9-20(17)22/h3-5,7-12,15H,6,13-14,16H2,1-2H3
InChIKeyVTDNUQWQXLBLGM-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.90
Rot. Bonds6

About N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine

N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine (PubChem CID 153112192) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine
PubChem CID153112192
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)C(S(=O)(=O)c1cccc3ccccc13)=NC2
InChIInChI=1S/C23H24N2O3S/c1-25(2)13-6-14-28-19-12-11-18-16-24-23(21(18)15-19)29(26,27)22-10-5-8-17-7-3-4-9-20(17)22/h3-5,7-12,15H,6,13-14,16H2,1-2H3
InChIKeyVTDNUQWQXLBLGM-UHFFFAOYSA-N
XLogP3.90
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]butan-1-amine
CID 68679888
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
6-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]hexan-3-amine
CID 69137588
4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 143411869
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
3-[17-[3-(dimethylamino)propoxy]-1,3,10,12-tetrazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2,4,6,8,10,15(20),16,18-octaen-12-yl]-N,N-dimethylpropan-1-amine
CID 162665822
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
4-[3-(dimethylamino)propoxy]benzenesulfonyl chloride;hydrochloride
CID 87727140
2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
CID 58812067

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine (CID 153112192) is N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine is CN(C)CCCOc1ccc2c(c1)C(S(=O)(=O)c1cccc3ccccc13)=NC2.
What is the InChIKey of N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine?
The InChIKey is VTDNUQWQXLBLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-25(2)13-6-14-28-19-12-11-18-16-24-23(21(18)15-19)29(26,27)22-10-5-8-17-7-3-4-9-20(17)22/h3-5,7-12,15H,6,13-14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine?
N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine has a molecular weight of 408.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine is sourced from PubChem (CID 153112192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).