3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine

C16H19NO2S — CID 64698276

IUPAC3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine
SMILESCc1cccc(S(=O)(=O)CC(CN)c2ccccc2)c1
InChIInChI=1S/C16H19NO2S/c1-13-6-5-9-16(10-13)20(18,19)12-15(11-17)14-7-3-2-4-8-14/h2-10,15H,11-12,17H2,1H3
InChIKeyJTBZVVXVXFGJQC-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.51
Rot. Bonds5

About 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine

3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine (PubChem CID 64698276) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine
PubChem CID64698276
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine
SMILESCc1cccc(S(=O)(=O)CC(CN)c2ccccc2)c1
InChIInChI=1S/C16H19NO2S/c1-13-6-5-9-16(10-13)20(18,19)12-15(11-17)14-7-3-2-4-8-14/h2-10,15H,11-12,17H2,1H3
InChIKeyJTBZVVXVXFGJQC-UHFFFAOYSA-N
XLogP2.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylphenyl)sulfonyl-2-phenylpropan-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

3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64699404
1-(2,2-dimethoxyethylsulfonyl)-3-methylbenzene
CID 66222400
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-3-methylbenzene
CID 64758113
3-[(3-methylphenyl)methylsulfanyl]-2-phenylpropan-1-amine
CID 64538465
1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
2-fluoro-2-(3-methylphenyl)sulfonylethanamine
CID 115030019
2-(3-methylphenyl)sulfonylbutan-1-amine
CID 64696626
3-methyl-2-(3-methylphenyl)sulfonylbutan-1-amine
CID 117037739
1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol
CID 106585298
1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
CID 79022604
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine (CID 64698276) is 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine is Cc1cccc(S(=O)(=O)CC(CN)c2ccccc2)c1.
What is the InChIKey of 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine?
The InChIKey is JTBZVVXVXFGJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-6-5-9-16(10-13)20(18,19)12-15(11-17)14-7-3-2-4-8-14/h2-10,15H,11-12,17H2,1H3.
What are the key properties of 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine?
3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine is sourced from PubChem (CID 64698276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).