2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine

C11H25NO2S — CID 62726318

IUPAC2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine
SMILESCCCCC(CC)(CN)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-4-6-7-11(5-2,10-12)8-9-15(3,13)14/h4-10,12H2,1-3H3
InChIKeyFTFYDMRDFFWMMG-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.97
Rot. Bonds8

About 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine

2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine (PubChem CID 62726318) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine
PubChem CID62726318
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine
SMILESCCCCC(CC)(CN)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-4-6-7-11(5-2,10-12)8-9-15(3,13)14/h4-10,12H2,1-3H3
InChIKeyFTFYDMRDFFWMMG-UHFFFAOYSA-N
XLogP1.97
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine (CID 62726318) is 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine is CCCCC(CC)(CN)CCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine?
The InChIKey is FTFYDMRDFFWMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-6-7-11(5-2,10-12)8-9-15(3,13)14/h4-10,12H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine?
2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylsulfonylethyl)hexan-1-amine is sourced from PubChem (CID 62726318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).