2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine

C10H23NO3S — CID 65051132

IUPAC2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine
SMILESCCC(CC)(CN)OCCS(=O)(=O)CC
InChIInChI=1S/C10H23NO3S/c1-4-10(5-2,9-11)14-7-8-15(12,13)6-3/h4-9,11H2,1-3H3
InChIKeyNOQRULSINAVKON-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.96
Rot. Bonds8

About 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine

2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine (PubChem CID 65051132) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine
PubChem CID65051132
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine
SMILESCCC(CC)(CN)OCCS(=O)(=O)CC
InChIInChI=1S/C10H23NO3S/c1-4-10(5-2,9-11)14-7-8-15(12,13)6-3/h4-9,11H2,1-3H3
InChIKeyNOQRULSINAVKON-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine?
The IUPAC name of 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine (CID 65051132) is 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine is CCC(CC)(CN)OCCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine?
The InChIKey is NOQRULSINAVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-10(5-2,9-11)14-7-8-15(12,13)6-3/h4-9,11H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine?
2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine is sourced from PubChem (CID 65051132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).