N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine

C16H21NO2S — CID 64644731

IUPACN-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CC(NC)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO2S/c1-3-10-20(18,19)12-16(17-2)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,16-17H,3,10,12H2,1-2H3
InChIKeyOOBZIJCNAQDRLR-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.93
Rot. Bonds6

About N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine

N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine (PubChem CID 64644731) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
PubChem CID64644731
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CC(NC)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO2S/c1-3-10-20(18,19)12-16(17-2)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,16-17H,3,10,12H2,1-2H3
InChIKeyOOBZIJCNAQDRLR-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine 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-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 62716073
N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
CID 63685085
3-(methylamino)-3-naphthalen-2-ylpropanenitrile
CID 116955229
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
CID 120584320
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylbutylsulfonyl)ethanamine
CID 107760365
1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine
CID 64644928
N-[1-(3,4-dimethylphenyl)-2-propylsulfonylethyl]propan-1-amine
CID 64646093

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine?
The IUPAC name of N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine (CID 64644731) is N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine.
What is the SMILES notation for N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine?
The canonical SMILES for N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine is CCCS(=O)(=O)CC(NC)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine?
The InChIKey is OOBZIJCNAQDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-10-20(18,19)12-16(17-2)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,16-17H,3,10,12H2,1-2H3.
What are the key properties of N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine?
N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine is sourced from PubChem (CID 64644731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).