N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine

C15H26N2O2S — CID 107367797

IUPACN'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCCN(CCCN)Cc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-2-20(18,19)13-7-12-17(11-6-10-16)14-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,16H2,1H3
InChIKeyWXKGXNZGAAYMIF-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.66
Rot. Bonds10

About N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine

N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine (PubChem CID 107367797) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
PubChem CID107367797
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCCN(CCCN)Cc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-2-20(18,19)13-7-12-17(11-6-10-16)14-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,16H2,1H3
InChIKeyWXKGXNZGAAYMIF-UHFFFAOYSA-N
XLogP1.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-3-[3-(dibenzylamino)propylsulfonyl]propan-1-amine
CID 68796747
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine (CID 107367797) is N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine is CCS(=O)(=O)CCCN(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine?
The InChIKey is WXKGXNZGAAYMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-2-20(18,19)13-7-12-17(11-6-10-16)14-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14,16H2,1H3.
What are the key properties of N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine?
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine has a molecular weight of 298.45 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine is sourced from PubChem (CID 107367797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).