2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine

C11H26N2O3S — CID 114263820

IUPAC2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine
SMILESCCCS(=O)(=O)CCN(CC)CCOCCN
InChIInChI=1S/C11H26N2O3S/c1-3-10-17(14,15)11-7-13(4-2)6-9-16-8-5-12/h3-12H2,1-2H3
InChIKeyLHXQIGSUBOXRBQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.11
Rot. Bonds11

About 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine

2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine (PubChem CID 114263820) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine
PubChem CID114263820
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Name2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine
SMILESCCCS(=O)(=O)CCN(CC)CCOCCN
InChIInChI=1S/C11H26N2O3S/c1-3-10-17(14,15)11-7-13(4-2)6-9-16-8-5-12/h3-12H2,1-2H3
InChIKeyLHXQIGSUBOXRBQ-UHFFFAOYSA-N
XLogP0.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
2-(2-ethylsulfonylethoxy)ethanamine
CID 62343611
N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
CID 106450802
N'-(2-butoxyethyl)-N'-ethylethane-1,2-diamine
CID 61483279
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
CID 103714098
4-[2-(diethylamino)ethoxy]butan-1-amine
CID 62459330
2-propylsulfonylethanamine;hydrochloride
CID 87608994
1-propylsulfonylpropane
CID 11709
N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine
CID 106731287
N'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine?
The IUPAC name of 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine (CID 114263820) is 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine is CCCS(=O)(=O)CCN(CC)CCOCCN.
What is the InChIKey of 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine?
The InChIKey is LHXQIGSUBOXRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-3-10-17(14,15)11-7-13(4-2)6-9-16-8-5-12/h3-12H2,1-2H3.
What are the key properties of 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine?
2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine has a molecular weight of 266.41 g/mol, XLogP of 0.11, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine is sourced from PubChem (CID 114263820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).