2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine

C11H25NO3S — CID 107757643

IUPAC2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine
SMILESCCOCCNCCS(=O)(=O)CC(C)CC
InChIInChI=1S/C11H25NO3S/c1-4-11(3)10-16(13,14)9-7-12-6-8-15-5-2/h11-12H,4-10H2,1-3H3
InChIKeyQTCJRTGXCQXHMM-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.07
Rot. Bonds10

About 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine

2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine (PubChem CID 107757643) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine
PubChem CID107757643
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine
SMILESCCOCCNCCS(=O)(=O)CC(C)CC
InChIInChI=1S/C11H25NO3S/c1-4-11(3)10-16(13,14)9-7-12-6-8-15-5-2/h11-12H,4-10H2,1-3H3
InChIKeyQTCJRTGXCQXHMM-UHFFFAOYSA-N
XLogP1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757587
2-ethoxy-N-[2-(3-methylbutylsulfonyl)ethyl]ethanamine
CID 107757860
4-ethoxy-N-[2-(2-methylpropylsulfonyl)ethyl]butan-1-amine
CID 106512953
N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757585
2-(2-ethoxyethylamino)ethanesulfonamide
CID 114384811
4-(2-methylbutylsulfonyl)-N-propylbutan-1-amine
CID 107757626
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylbutan-1-amine;molecular hydrogen
CID 156794535
3-(2-chloroethylsulfonyl)-N-(2-ethoxyethyl)butan-1-amine
CID 19748063
3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
CID 106513266
ethyl 3-(2-methylbutylsulfonyl)propanoate
CID 107746710
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine (CID 107757643) is 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine is CCOCCNCCS(=O)(=O)CC(C)CC.
What is the InChIKey of 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine?
The InChIKey is QTCJRTGXCQXHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-4-11(3)10-16(13,14)9-7-12-6-8-15-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine?
2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine has a molecular weight of 251.39 g/mol, XLogP of 1.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine is sourced from PubChem (CID 107757643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).