1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine

C13H21NO2S — CID 60713855

IUPAC1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCCC(NCCS(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO2S/c1-4-13(14-9-10-17(3,15)16)12-7-5-11(2)6-8-12/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyLWORQAZWCGKNPM-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.08
Rot. Bonds6

About 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine

1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine (PubChem CID 60713855) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
PubChem CID60713855
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCCC(NCCS(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO2S/c1-4-13(14-9-10-17(3,15)16)12-7-5-11(2)6-8-12/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyLWORQAZWCGKNPM-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)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

1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64644621
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
CID 43707473
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
CID 60714061
N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54936865
(2S)-4-(4-methylphenyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 97230944
N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine
CID 63827808
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine (CID 60713855) is 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine is CCC(NCCS(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine?
The InChIKey is LWORQAZWCGKNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-13(14-9-10-17(3,15)16)12-7-5-11(2)6-8-12/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine?
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 60713855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).