2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine

C9H22N2O3S — CID 79849694

IUPAC2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-4-14-9(7-10)8-11(2)5-6-15(3,12)13/h9H,4-8,10H2,1-3H3
InChIKeyGIQIQBYDWVDJER-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.67
Rot. Bonds8

About 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine

2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine (PubChem CID 79849694) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
PubChem CID79849694
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-4-14-9(7-10)8-11(2)5-6-15(3,12)13/h9H,4-8,10H2,1-3H3
InChIKeyGIQIQBYDWVDJER-UHFFFAOYSA-N
XLogP-0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
CID 63070797
2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine
CID 103152650
2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63071578
N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190976
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63069851
N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
CID 82683161
N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070989
1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
CID 63070098
2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide
CID 63070450
1-N-methyl-1-N-(2-methylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 79850617
2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide
CID 79858043

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine (CID 79849694) is 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine is CCOC(CN)CN(C)CCS(C)(=O)=O.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The InChIKey is GIQIQBYDWVDJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-14-9(7-10)8-11(2)5-6-15(3,12)13/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of -0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine is sourced from PubChem (CID 79849694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).