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

C12H27NO2S — CID 62723627

IUPAC2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine
SMILESCCCCC(CC)(CCS(C)(=O)=O)CNC
InChIInChI=1S/C12H27NO2S/c1-5-7-8-12(6-2,11-13-3)9-10-16(4,14)15/h13H,5-11H2,1-4H3
InChIKeyIKPYKBVQJAKEJX-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.23
Rot. Bonds9

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

2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine (PubChem CID 62723627) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine
PubChem CID62723627
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine
SMILESCCCCC(CC)(CCS(C)(=O)=O)CNC
InChIInChI=1S/C12H27NO2S/c1-5-7-8-12(6-2,11-13-3)9-10-16(4,14)15/h13H,5-11H2,1-4H3
InChIKeyIKPYKBVQJAKEJX-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine (CID 62723627) is 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine is CCCCC(CC)(CCS(C)(=O)=O)CNC.
What is the InChIKey of 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine?
The InChIKey is IKPYKBVQJAKEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-5-7-8-12(6-2,11-13-3)9-10-16(4,14)15/h13H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine?
2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine is sourced from PubChem (CID 62723627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).