3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine

C14H23NO2S — CID 65092891

IUPAC3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCS(=O)(=O)CCCNC(C)c1ccccc1C
InChIInChI=1S/C14H23NO2S/c1-4-18(16,17)11-7-10-15-13(3)14-9-6-5-8-12(14)2/h5-6,8-9,13,15H,4,7,10-11H2,1-3H3
InChIKeySDFIGBHZNDJYOC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.47
Rot. Bonds7

About 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine

3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 65092891) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID65092891
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCS(=O)(=O)CCCNC(C)c1ccccc1C
InChIInChI=1S/C14H23NO2S/c1-4-18(16,17)11-7-10-15-13(3)14-9-6-5-8-12(14)2/h5-6,8-9,13,15H,4,7,10-11H2,1-3H3
InChIKeySDFIGBHZNDJYOC-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]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-[(1S)-1-(2-methylphenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81375092
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
CID 106724109
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
2-[3-[1-(2-methylphenyl)ethylamino]propyl]isoindole-1,3-dione
CID 112801132
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine (CID 65092891) is 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine is CCS(=O)(=O)CCCNC(C)c1ccccc1C.
What is the InChIKey of 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is SDFIGBHZNDJYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-18(16,17)11-7-10-15-13(3)14-9-6-5-8-12(14)2/h5-6,8-9,13,15H,4,7,10-11H2,1-3H3.
What are the key properties of 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine?
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65092891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).