3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine

C11H23NO4S — CID 114110576

IUPAC3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine
SMILESCCOC1CC(NCCS(=O)(=O)CC)C1OC
InChIInChI=1S/C11H23NO4S/c1-4-16-10-8-9(11(10)15-3)12-6-7-17(13,14)5-2/h9-12H,4-8H2,1-3H3
InChIKeyHQFCEVXHOXLYRJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.20
Rot. Bonds8

About 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine

3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine (PubChem CID 114110576) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine
PubChem CID114110576
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine
SMILESCCOC1CC(NCCS(=O)(=O)CC)C1OC
InChIInChI=1S/C11H23NO4S/c1-4-16-10-8-9(11(10)15-3)12-6-7-17(13,14)5-2/h9-12H,4-8H2,1-3H3
InChIKeyHQFCEVXHOXLYRJ-UHFFFAOYSA-N
XLogP0.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine (CID 114110576) is 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine is CCOC1CC(NCCS(=O)(=O)CC)C1OC.
What is the InChIKey of 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine?
The InChIKey is HQFCEVXHOXLYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-16-10-8-9(11(10)15-3)12-6-7-17(13,14)5-2/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine?
3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 0.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 114110576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).