N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine

C14H24N2O2S — CID 65233313

IUPACN'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CNCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-3-4-13(9-15)11-16-10-12-5-7-14(8-6-12)19(2,17)18/h5-8,13,16H,3-4,9-11,15H2,1-2H3
InChIKeyKANLFWIIJBGGNM-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.55
Rot. Bonds8

About N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine

N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine (PubChem CID 65233313) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine
PubChem CID65233313
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CNCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-3-4-13(9-15)11-16-10-12-5-7-14(8-6-12)19(2,17)18/h5-8,13,16H,3-4,9-11,15H2,1-2H3
InChIKeyKANLFWIIJBGGNM-UHFFFAOYSA-N
XLogP1.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817
2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine
CID 115251452
2-ethyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 115251246
1-ethyl-4-methylsulfonylbenzene
CID 143759723
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
N-[(4-methylsulfonylphenyl)methyl]propane-1-sulfonamide
CID 47387345
2-ethyl-2-[[(4-methylsulfonylphenyl)methylamino]methyl]butan-1-ol
CID 81419238
N'-[(5-methylthiophen-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 65233196
N-[(4-methylsulfonylphenyl)methyl]formamide
CID 64992052
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine
CID 63198265
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine?
The IUPAC name of N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine (CID 65233313) is N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine is CCCC(CN)CNCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine?
The InChIKey is KANLFWIIJBGGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-4-13(9-15)11-16-10-12-5-7-14(8-6-12)19(2,17)18/h5-8,13,16H,3-4,9-11,15H2,1-2H3.
What are the key properties of N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine?
N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine has a molecular weight of 284.42 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine is sourced from PubChem (CID 65233313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).