2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine

C15H33NO2S — CID 55107038

IUPAC2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CCS(=O)(=O)CC)CNC(C)C
InChIInChI=1S/C15H33NO2S/c1-6-9-10-15(7-2,13-16-14(4)5)11-12-19(17,18)8-3/h14,16H,6-13H2,1-5H3
InChIKeyNLQLIBVIKZOUDJ-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.40
Rot. Bonds11

About 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine

2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine (PubChem CID 55107038) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine
PubChem CID55107038
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC Name2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CCS(=O)(=O)CC)CNC(C)C
InChIInChI=1S/C15H33NO2S/c1-6-9-10-15(7-2,13-16-14(4)5)11-12-19(17,18)8-3/h14,16H,6-13H2,1-5H3
InChIKeyNLQLIBVIKZOUDJ-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.40
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-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine (CID 55107038) is 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine is CCCCC(CC)(CCS(=O)(=O)CC)CNC(C)C.
What is the InChIKey of 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine?
The InChIKey is NLQLIBVIKZOUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-6-9-10-15(7-2,13-16-14(4)5)11-12-19(17,18)8-3/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine?
2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 3.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-ethylsulfonylethyl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 55107038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).