N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine

C16H20N2O2S — CID 80505453

IUPACN'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine
SMILESCS(=O)(=O)c1ccccc1NCCC(N)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-21(19,20)16-10-6-5-9-15(16)18-12-11-14(17)13-7-3-2-4-8-13/h2-10,14,18H,11-12,17H2,1H3
InChIKeyVGLQBTFTZKLXNG-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.59
Rot. Bonds6

About N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine

N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine (PubChem CID 80505453) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine
PubChem CID80505453
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine
SMILESCS(=O)(=O)c1ccccc1NCCC(N)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-21(19,20)16-10-6-5-9-15(16)18-12-11-14(17)13-7-3-2-4-8-13/h2-10,14,18H,11-12,17H2,1H3
InChIKeyVGLQBTFTZKLXNG-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine
CID 132939131
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CID 43388007
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
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2-methyl-N'-(2-methylsulfonylphenyl)pentane-1,5-diamine
CID 114151164
N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine
CID 63120930
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
N-(2-chloro-1-phenylethyl)-2-methylsulfonylaniline
CID 65029583
4-methyl-1-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 107159362
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylaniline
CID 115641037

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine (CID 80505453) is N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine is CS(=O)(=O)c1ccccc1NCCC(N)c1ccccc1.
What is the InChIKey of N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine?
The InChIKey is VGLQBTFTZKLXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-21(19,20)16-10-6-5-9-15(16)18-12-11-14(17)13-7-3-2-4-8-13/h2-10,14,18H,11-12,17H2,1H3.
What are the key properties of N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine?
N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine has a molecular weight of 304.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 80505453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).